4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine

C16H18N6O — CID 175369244

IUPAC4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc(NC2CC2)c1C
InChIInChI=1S/C16H18N6O/c1-9-15(20-11-3-4-11)17-8-18-16(9)21-13-5-10-7-19-22-12(10)6-14(13)23-2/h5-8,11H,3-4H2,1-2H3,(H,19,22)(H2,17,18,20,21)
InChIKeySZYZVTTUBGYMCR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.99
Rot. Bonds5

About 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine (PubChem CID 175369244) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine
PubChem CID175369244
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc(NC2CC2)c1C
InChIInChI=1S/C16H18N6O/c1-9-15(20-11-3-4-11)17-8-18-16(9)21-13-5-10-7-19-22-12(10)6-14(13)23-2/h5-8,11H,3-4H2,1-2H3,(H,19,22)(H2,17,18,20,21)
InChIKeySZYZVTTUBGYMCR-UHFFFAOYSA-N
XLogP2.99
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine
CID 153159221
6-methoxy-N-methyl-1H-indazol-5-amine
CID 153364692
4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine
CID 165148143
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
N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine
CID 166920643
[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
(7S)-N-(6-methoxy-1H-indazol-5-yl)-7-(methoxymethyl)-7-methyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 144675944
(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
4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine
CID 131967732
[(3R,4R)-3,4-dihydroxypyrrolidin-1-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 118096388
[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
[4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl] N-methyl-N-propan-2-ylcarbamate
CID 121408479

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine (CID 175369244) is 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine is COc1cc2[nH]ncc2cc1Nc1ncnc(NC2CC2)c1C.
What is the InChIKey of 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is SZYZVTTUBGYMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-9-15(20-11-3-4-11)17-8-18-16(9)21-13-5-10-7-19-22-12(10)6-14(13)23-2/h5-8,11H,3-4H2,1-2H3,(H,19,22)(H2,17,18,20,21).
What are the key properties of 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 310.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 175369244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).