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

C15H17F2N7 — CID 135374568

IUPAC6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine
SMILESCc1nn(C(CF)CF)cc1Nc1nc(C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C15H17F2N7/c1-8-11(6-24(23-8)10(4-16)5-17)20-15-21-12(9-2-3-9)13-14(22-15)19-7-18-13/h6-7,9-10H,2-5H2,1H3,(H2,18,19,20,21,22)
InChIKeyVXEROSMCUPASRT-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.96
Rot. Bonds6

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

6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine (PubChem CID 135374568) has the molecular formula C15H17F2N7 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine
PubChem CID135374568
Molecular FormulaC15H17F2N7
Molecular Weight333.35 g/mol
Exact Mass333.15
IUPAC Name6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine
SMILESCc1nn(C(CF)CF)cc1Nc1nc(C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C15H17F2N7/c1-8-11(6-24(23-8)10(4-16)5-17)20-15-21-12(9-2-3-9)13-14(22-15)19-7-18-13/h6-7,9-10H,2-5H2,1H3,(H2,18,19,20,21,22)
InChIKeyVXEROSMCUPASRT-UHFFFAOYSA-N
XLogP2.96
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine?
The IUPAC name of 6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine (CID 135374568) is 6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine.
What is the SMILES notation for 6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine?
The canonical SMILES for 6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine is Cc1nn(C(CF)CF)cc1Nc1nc(C2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine?
The InChIKey is VXEROSMCUPASRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N7/c1-8-11(6-24(23-8)10(4-16)5-17)20-15-21-12(9-2-3-9)13-14(22-15)19-7-18-13/h6-7,9-10H,2-5H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine?
6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine has a molecular weight of 333.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-3-methylpyrazol-4-yl]-7H-purin-2-amine is sourced from PubChem (CID 135374568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).