1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine

C14H19N7 — CID 95871545

IUPAC1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cnn([C@@H](C)CNc2ncnc3c2c(C)nn3C)c1
InChIInChI=1S/C14H19N7/c1-9-5-18-21(7-9)10(2)6-15-13-12-11(3)19-20(4)14(12)17-8-16-13/h5,7-8,10H,6H2,1-4H3,(H,15,16,17)/t10-/m0/s1
InChIKeyQVSDWFNERSBQLO-JTQLQIEISA-N
MW285.36 g/mol
LogP1.85
Rot. Bonds4

About 1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95871545) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95871545
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cnn([C@@H](C)CNc2ncnc3c2c(C)nn3C)c1
InChIInChI=1S/C14H19N7/c1-9-5-18-21(7-9)10(2)6-15-13-12-11(3)19-20(4)14(12)17-8-16-13/h5,7-8,10H,6H2,1-4H3,(H,15,16,17)/t10-/m0/s1
InChIKeyQVSDWFNERSBQLO-JTQLQIEISA-N
XLogP1.85
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 95871545) is 1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cnn([C@@H](C)CNc2ncnc3c2c(C)nn3C)c1.
What is the InChIKey of 1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QVSDWFNERSBQLO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N7/c1-9-5-18-21(7-9)10(2)6-15-13-12-11(3)19-20(4)14(12)17-8-16-13/h5,7-8,10H,6H2,1-4H3,(H,15,16,17)/t10-/m0/s1.
What are the key properties of 1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 285.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95871545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).