6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine

C14H17N7 — CID 140943387

IUPAC6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine
SMILESCc1nc2nc(Nc3cn(C)nc3C)nc(C3CC3)c2[nH]1
InChIInChI=1S/C14H17N7/c1-7-10(6-21(3)20-7)17-14-18-11(9-4-5-9)12-13(19-14)16-8(2)15-12/h6,9H,4-5H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyPUMOCRBXYNUMPV-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.32
Rot. Bonds3

About 6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine

6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine (PubChem CID 140943387) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine
PubChem CID140943387
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine
SMILESCc1nc2nc(Nc3cn(C)nc3C)nc(C3CC3)c2[nH]1
InChIInChI=1S/C14H17N7/c1-7-10(6-21(3)20-7)17-14-18-11(9-4-5-9)12-13(19-14)16-8(2)15-12/h6,9H,4-5H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyPUMOCRBXYNUMPV-UHFFFAOYSA-N
XLogP2.32
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 132578411
3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
CID 70682583
5-cyclopropyl-3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70684644
9-(5-Cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-9H-purin-2-amine
CID 25115965
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 59757968
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-5-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 59757996
US9932325, Example 97
CID 132232436
US11214565, Example C-3
CID 140943524
2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 122193403
US11214565, Example A-39
CID 135374255
US11214565, Example A-58
CID 135374351
US11214565, Example C-2
CID 135374358

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine?
The IUPAC name of 6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine (CID 140943387) is 6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine?
The canonical SMILES for 6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine is Cc1nc2nc(Nc3cn(C)nc3C)nc(C3CC3)c2[nH]1.
What is the InChIKey of 6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine?
The InChIKey is PUMOCRBXYNUMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-7-10(6-21(3)20-7)17-14-18-11(9-4-5-9)12-13(19-14)16-8(2)15-12/h6,9H,4-5H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine?
6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine has a molecular weight of 283.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine is sourced from PubChem (CID 140943387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).