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

C13H15N7 — CID 164740937

IUPAC6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine
SMILESCc1cn(C)nc1Nc1nc(C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H15N7/c1-7-5-20(2)19-11(7)17-13-16-9(8-3-4-8)10-12(18-13)15-6-14-10/h5-6,8H,3-4H2,1-2H3,(H2,14,15,16,17,18,19)
InChIKeySJIRHTWMQOTGOO-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.02
Rot. Bonds3

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

6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine (PubChem CID 164740937) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine
PubChem CID164740937
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine
SMILESCc1cn(C)nc1Nc1nc(C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H15N7/c1-7-5-20(2)19-11(7)17-13-16-9(8-3-4-8)10-12(18-13)15-6-14-10/h5-6,8H,3-4H2,1-2H3,(H2,14,15,16,17,18,19)
InChIKeySJIRHTWMQOTGOO-UHFFFAOYSA-N
XLogP2.02
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine
CID 140943276
2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 114785632
N-[4-(3-aminopropoxy)phenyl]-6-cyclohexyl-7H-purin-2-amine
CID 68754960
4-cyclopropyl-N-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 140943330
6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine
CID 91307740
6-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-7H-purine-2,6-diamine
CID 129244980
6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine
CID 129275714
6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 107465233
6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783461
6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114785499
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine
CID 114785912

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine?
The IUPAC name of 6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine (CID 164740937) is 6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine?
The canonical SMILES for 6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine is Cc1cn(C)nc1Nc1nc(C2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine?
The InChIKey is SJIRHTWMQOTGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-7-5-20(2)19-11(7)17-13-16-9(8-3-4-8)10-12(18-13)15-6-14-10/h5-6,8H,3-4H2,1-2H3,(H2,14,15,16,17,18,19).
What are the key properties of 6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine?
6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine has a molecular weight of 269.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(1,4-dimethylpyrazol-3-yl)-7H-purin-2-amine is sourced from PubChem (CID 164740937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).