6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine

C13H13F2N7 — CID 140943524

IUPAC6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine
SMILESCc1cn(C(F)F)nc1Nc1nc(C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H13F2N7/c1-6-4-22(12(14)15)21-10(6)19-13-18-8(7-2-3-7)9-11(20-13)17-5-16-9/h4-5,7,12H,2-3H2,1H3,(H2,16,17,18,19,20,21)
InChIKeyZLZKHVQXXHYLBF-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.87
Rot. Bonds4

About 6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine

6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine (PubChem CID 140943524) has the molecular formula C13H13F2N7 and a molecular weight of 305.29 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine
PubChem CID140943524
Molecular FormulaC13H13F2N7
Molecular Weight305.29 g/mol
Exact Mass305.12
IUPAC Name6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine
SMILESCc1cn(C(F)F)nc1Nc1nc(C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H13F2N7/c1-6-4-22(12(14)15)21-10(6)19-13-18-8(7-2-3-7)9-11(20-13)17-5-16-9/h4-5,7,12H,2-3H2,1H3,(H2,16,17,18,19,20,21)
InChIKeyZLZKHVQXXHYLBF-UHFFFAOYSA-N
XLogP2.87
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 145900917
US11214565, Example A-76
CID 135374340
US11214565, Example A-72
CID 135374440
US11214565, Example A-58
CID 135374351
US11214565, Example C-2
CID 135374358
US11214565, Example A-75
CID 135374494
US11214565, Example A-73
CID 135374537
US11214565, Example C-1
CID 135374568
US11214565, Example C-4
CID 135374609
US11214565, Example A-51
CID 135374623
US11214565, Example A-77
CID 135374660
US11214565, Example A-8
CID 135374677

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine?
The IUPAC name of 6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine (CID 140943524) is 6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine.
What is the SMILES notation for 6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine?
The canonical SMILES for 6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine is Cc1cn(C(F)F)nc1Nc1nc(C2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine?
The InChIKey is ZLZKHVQXXHYLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N7/c1-6-4-22(12(14)15)21-10(6)19-13-18-8(7-2-3-7)9-11(20-13)17-5-16-9/h4-5,7,12H,2-3H2,1H3,(H2,16,17,18,19,20,21).
What are the key properties of 6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine?
6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine has a molecular weight of 305.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(difluoromethyl)-4-methylpyrazol-3-yl]-7H-purin-2-amine is sourced from PubChem (CID 140943524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).