4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid

C14H13N5O3 — CID 167600605

IUPAC4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid
SMILESCOc1cc2c(cc1Nc1ncnc(N)c1C(=O)O)C=NC2
InChIInChI=1S/C14H13N5O3/c1-22-10-3-8-5-16-4-7(8)2-9(10)19-13-11(14(20)21)12(15)17-6-18-13/h2-4,6H,5H2,1H3,(H,20,21)(H3,15,17,18,19)
InChIKeyHTRSFYPZGAJMRI-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.44
Rot. Bonds4

About 4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid

4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid (PubChem CID 167600605) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid
PubChem CID167600605
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid
SMILESCOc1cc2c(cc1Nc1ncnc(N)c1C(=O)O)C=NC2
InChIInChI=1S/C14H13N5O3/c1-22-10-3-8-5-16-4-7(8)2-9(10)19-13-11(14(20)21)12(15)17-6-18-13/h2-4,6H,5H2,1H3,(H,20,21)(H3,15,17,18,19)
InChIKeyHTRSFYPZGAJMRI-UHFFFAOYSA-N
XLogP1.44
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[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-isoindol-5-yl)amino]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxylic acid
CID 158817844
4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 167625495
1-[3-[(6-methoxy-1H-isoindol-5-yl)amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-2-methylpropan-1-one
CID 159835012
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-[6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-4-yl]pyridine-2-carboxamide
CID 167559796
(7S)-7-ethyl-4-[(6-methoxy-1H-isoindol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carbonyl chloride
CID 158988357
[4-[(6-methoxy-1H-isoindol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-morpholin-4-ylmethanone
CID 158237961
4-[(6-methoxy-1H-isoindol-5-yl)amino]-N,N-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide;4-[(6-methoxy-1H-isoindol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 158986231
(7S)-7-ethyl-4-[(6-methoxy-1H-isoindol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carbonyl chloride;(7S)-7-ethyl-4-[(6-methoxy-1H-isoindol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 158988356
(7R)-7-ethyl-4-[(6-methoxy-1H-isoindol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carbonyl chloride;(7R)-7-ethyl-4-[(6-methoxy-1H-isoindol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 158988354
N,N-dimethyl-4-[(6-propan-2-yloxy-1H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-[(6-propan-2-yloxy-1H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 159712604

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid (CID 167600605) is 4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid is COc1cc2c(cc1Nc1ncnc(N)c1C(=O)O)C=NC2.
What is the InChIKey of 4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is HTRSFYPZGAJMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-22-10-3-8-5-16-4-7(8)2-9(10)19-13-11(14(20)21)12(15)17-6-18-13/h2-4,6H,5H2,1H3,(H,20,21)(H3,15,17,18,19).
What are the key properties of 4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid?
4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 167600605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).