6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine

C16H19N7 — CID 140943276

IUPAC6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine
SMILESCc1nn(C2(C)CC2)cc1Nc1nc(C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C16H19N7/c1-9-11(7-23(22-9)16(2)5-6-16)19-15-20-12(10-3-4-10)13-14(21-15)18-8-17-13/h7-8,10H,3-6H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyYQZLUSGLZOJDGD-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.99
Rot. Bonds4

About 6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine

6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine (PubChem CID 140943276) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine
PubChem CID140943276
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine
SMILESCc1nn(C2(C)CC2)cc1Nc1nc(C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C16H19N7/c1-9-11(7-23(22-9)16(2)5-6-16)19-15-20-12(10-3-4-10)13-14(21-15)18-8-17-13/h7-8,10H,3-6H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyYQZLUSGLZOJDGD-UHFFFAOYSA-N
XLogP2.99
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine?
The IUPAC name of 6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine (CID 140943276) is 6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine.
What is the SMILES notation for 6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine?
The canonical SMILES for 6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine is Cc1nn(C2(C)CC2)cc1Nc1nc(C2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine?
The InChIKey is YQZLUSGLZOJDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-9-11(7-23(22-9)16(2)5-6-16)19-15-20-12(10-3-4-10)13-14(21-15)18-8-17-13/h7-8,10H,3-6H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine?
6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine has a molecular weight of 309.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-methyl-1-(1-methylcyclopropyl)pyrazol-4-yl]-7H-purin-2-amine is sourced from PubChem (CID 140943276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).