6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide

C66H71Cl2N23O7 — CID 167601707

IUPAC6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc(NC(=O)C2CC2)c1C.COc1cc2[nH]ncc2cc1Nc1ncnc(NC(=O)C2CC2)c1C.COc1cc2c(cc1Nc1ncnc(NC(=O)C3CC3)c1C)C=NC2.Cc1c(Cl)ncnc1NC(=O)C1CC1.Cc1c(N)ncnc1Cl
InChIInChI=1S/C18H19N5O2.2C17H18N6O2.C9H10ClN3O.C5H6ClN3/c1-10-16(20-9-21-17(10)23-18(24)11-3-4-11)22-14-5-12-7-19-8-13(12)6-15(14)25-2;2*1-9-15(18-8-19-16(9)22-17(24)10-3-4-10)21-13-5-11-7-20-23-12(11)6-14(13)25-2;1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;1-3-4(6)8-2-9-5(3)7/h5-7,9,11H,3-4,8H2,1-2H3,(H2,20,21,22,23,24);2*5-8,10H,3-4H2,1-2H3,(H,20,23)(H2,18,19,21,22,24);4,6H,2-3H2,1H3,(H,11,12,13,14);2H,1H3,(H2,7,8,9)
InChIKeyJVBWTCZWFOUDIA-UHFFFAOYSA-N
MW1369.35 g/mol
LogP11.15
Rot. Bonds17

About 6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide

6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 167601707) has the molecular formula C66H71Cl2N23O7 and a molecular weight of 1369.35 g/mol. Its IUPAC name is 6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Name6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID167601707
Molecular FormulaC66H71Cl2N23O7
Molecular Weight1369.35 g/mol
Exact Mass1367.53
IUPAC Name6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc(NC(=O)C2CC2)c1C.COc1cc2[nH]ncc2cc1Nc1ncnc(NC(=O)C2CC2)c1C.COc1cc2c(cc1Nc1ncnc(NC(=O)C3CC3)c1C)C=NC2.Cc1c(Cl)ncnc1NC(=O)C1CC1.Cc1c(N)ncnc1Cl
InChIInChI=1S/C18H19N5O2.2C17H18N6O2.C9H10ClN3O.C5H6ClN3/c1-10-16(20-9-21-17(10)23-18(24)11-3-4-11)22-14-5-12-7-19-8-13(12)6-15(14)25-2;2*1-9-15(18-8-19-16(9)22-17(24)10-3-4-10)21-13-5-11-7-20-23-12(11)6-14(13)25-2;1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;1-3-4(6)8-2-9-5(3)7/h5-7,9,11H,3-4,8H2,1-2H3,(H2,20,21,22,23,24);2*5-8,10H,3-4H2,1-2H3,(H,20,23)(H2,18,19,21,22,24);4,6H,2-3H2,1H3,(H,11,12,13,14);2H,1H3,(H2,7,8,9)
InChIKeyJVBWTCZWFOUDIA-UHFFFAOYSA-N
XLogP11.15
TPSA404.82 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001369.35
LogP ≤ 511.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze 6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid
CID 167600605
4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine
CID 175369244
5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine
CID 153159221
4-[(6-methoxy-1H-isoindol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxylic acid
CID 158817844
[4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 165148106
4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine
CID 131967732
[4-[4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 167585872
[4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-piperidin-1-ylmethanone
CID 118060691
3-azabicyclo[3.1.0]hexan-3-yl-[(7S)-4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanone
CID 118096380
(7S)-7-ethyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 90317290
(7S)-4-chloro-N-(2-methoxyethyl)-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide;(7S)-N-(2-methoxyethyl)-4-[(6-methoxy-1H-isoindol-5-yl)amino]-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 160549764
3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-N-(6-propan-2-yloxy-1H-isoindol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 162131082

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of 6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide (CID 167601707) is 6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for 6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for 6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide is COc1cc2[nH]ncc2cc1Nc1ncnc(NC(=O)C2CC2)c1C.COc1cc2[nH]ncc2cc1Nc1ncnc(NC(=O)C2CC2)c1C.COc1cc2c(cc1Nc1ncnc(NC(=O)C3CC3)c1C)C=NC2.Cc1c(Cl)ncnc1NC(=O)C1CC1.Cc1c(N)ncnc1Cl.
What is the InChIKey of 6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is JVBWTCZWFOUDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2.2C17H18N6O2.C9H10ClN3O.C5H6ClN3/c1-10-16(20-9-21-17(10)23-18(24)11-3-4-11)22-14-5-12-7-19-8-13(12)6-15(14)25-2;2*1-9-15(18-8-19-16(9)22-17(24)10-3-4-10)21-13-5-11-7-20-23-12(11)6-14(13)25-2;1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;1-3-4(6)8-2-9-5(3)7/h5-7,9,11H,3-4,8H2,1-2H3,(H2,20,21,22,23,24);2*5-8,10H,3-4H2,1-2H3,(H,20,23)(H2,18,19,21,22,24);4,6H,2-3H2,1H3,(H,11,12,13,14);2H,1H3,(H2,7,8,9).
What are the key properties of 6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide?
6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 1369.35 g/mol, XLogP of 11.15, 17 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167601707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).