6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C23H29N7O2 — CID 139331116

IUPAC6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3c2c(-c2cc(C)[nH]n2)c(CN)n3C(C)C)c(OC)c1
InChIInChI=1S/C23H29N7O2/c1-13(2)30-18(10-24)20(17-8-14(3)28-29-17)21-22(26-12-27-23(21)30)25-11-15-6-7-16(31-4)9-19(15)32-5/h6-9,12-13H,10-11,24H2,1-5H3,(H,28,29)(H,25,26,27)
InChIKeyUERYWWKHSLOOSL-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.80
Rot. Bonds8

About 6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139331116) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139331116
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3c2c(-c2cc(C)[nH]n2)c(CN)n3C(C)C)c(OC)c1
InChIInChI=1S/C23H29N7O2/c1-13(2)30-18(10-24)20(17-8-14(3)28-29-17)21-22(26-12-27-23(21)30)25-11-15-6-7-16(31-4)9-19(15)32-5/h6-9,12-13H,10-11,24H2,1-5H3,(H,28,29)(H,25,26,27)
InChIKeyUERYWWKHSLOOSL-UHFFFAOYSA-N
XLogP3.80
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-iodo-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 146443724
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 171091121
2-[4-[(2,4-dimethoxyphenyl)methylamino]-6-(hydroxymethyl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl]-1H-indole-6-carbonitrile
CID 146443805
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;ethane
CID 153349161
N-[(2,4-dimethoxyphenyl)methyl]-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 178132467
1-but-3-ynyl-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171090745
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171091218
N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184758
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen
CID 160683192
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)-3-trimethylstannylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171091093
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511
5-bromo-N-[[2-(2-cyclopropylideneethoxy)-4-methoxyphenyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156731617

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 139331116) is 6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2ncnc3c2c(-c2cc(C)[nH]n2)c(CN)n3C(C)C)c(OC)c1.
What is the InChIKey of 6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UERYWWKHSLOOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-13(2)30-18(10-24)20(17-8-14(3)28-29-17)21-22(26-12-27-23(21)30)25-11-15-6-7-16(31-4)9-19(15)32-5/h6-9,12-13H,10-11,24H2,1-5H3,(H,28,29)(H,25,26,27).
What are the key properties of 6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 435.53 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139331116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).