6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine

C13H13F2N7 — CID 135374609

IUPAC6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine
SMILESCc1c(Nc2nc(C3CC3)c3[nH]cnc3n2)cnn1C(F)F
InChIInChI=1S/C13H13F2N7/c1-6-8(4-18-22(6)12(14)15)19-13-20-9(7-2-3-7)10-11(21-13)17-5-16-10/h4-5,7,12H,2-3H2,1H3,(H2,16,17,19,20,21)
InChIKeyWACDVDNPNQBZFA-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.87
Rot. Bonds4

About 6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine

6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine (PubChem CID 135374609) has the molecular formula C13H13F2N7 and a molecular weight of 305.29 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine
PubChem CID135374609
Molecular FormulaC13H13F2N7
Molecular Weight305.29 g/mol
Exact Mass305.12
IUPAC Name6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine
SMILESCc1c(Nc2nc(C3CC3)c3[nH]cnc3n2)cnn1C(F)F
InChIInChI=1S/C13H13F2N7/c1-6-8(4-18-22(6)12(14)15)19-13-20-9(7-2-3-7)10-11(21-13)17-5-16-10/h4-5,7,12H,2-3H2,1H3,(H2,16,17,19,20,21)
InChIKeyWACDVDNPNQBZFA-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
9-(5-Cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-9H-purin-2-amine
CID 25115965
US9932325, Example 97
CID 132232436
US9932325, Example 196
CID 132244674
US9932325, Example 198
CID 132244675
US11214565, Example A-76
CID 135374340
US11214565, Example A-72
CID 135374440
US11214565, Example A-42
CID 135374477
US11214565, Example A-52
CID 135374628
US11214565, Example C-3
CID 140943524
US11214565, Example A-39
CID 135374255
US11214565, Example A-58
CID 135374351

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine?
The IUPAC name of 6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine (CID 135374609) is 6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine.
What is the SMILES notation for 6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine?
The canonical SMILES for 6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine is Cc1c(Nc2nc(C3CC3)c3[nH]cnc3n2)cnn1C(F)F.
What is the InChIKey of 6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine?
The InChIKey is WACDVDNPNQBZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N7/c1-6-8(4-18-22(6)12(14)15)19-13-20-9(7-2-3-7)10-11(21-13)17-5-16-10/h4-5,7,12H,2-3H2,1H3,(H2,16,17,19,20,21).
What are the key properties of 6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-7H-purin-2-amine?
6-cyclopropyl-N-[1-(difluoromethyl)-5-methylpyrazol-4-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)-5-methylpyrazol-4-yl]-7H-purin-2-amine is sourced from PubChem (CID 135374609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).