2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine

C14H12F3N7 — CID 170305718

IUPAC2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine
SMILESCn1cc(-c2cnc(Nc3cc(N)nc(C(F)F)n3)cc2F)cn1
InChIInChI=1S/C14H12F3N7/c1-24-6-7(4-20-24)8-5-19-11(2-9(8)15)22-12-3-10(18)21-14(23-12)13(16)17/h2-6,13H,1H3,(H3,18,19,21,22,23)
InChIKeyUGCOHWWLCBZUNW-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.67
Rot. Bonds4

About 2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine

2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine (PubChem CID 170305718) has the molecular formula C14H12F3N7 and a molecular weight of 335.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine
PubChem CID170305718
Molecular FormulaC14H12F3N7
Molecular Weight335.29 g/mol
Exact Mass335.11
IUPAC Name2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine
SMILESCn1cc(-c2cnc(Nc3cc(N)nc(C(F)F)n3)cc2F)cn1
InChIInChI=1S/C14H12F3N7/c1-24-6-7(4-20-24)8-5-19-11(2-9(8)15)22-12-3-10(18)21-14(23-12)13(16)17/h2-6,13H,1H3,(H3,18,19,21,22,23)
InChIKeyUGCOHWWLCBZUNW-UHFFFAOYSA-N
XLogP2.67
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine (CID 170305718) is 2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine is Cn1cc(-c2cnc(Nc3cc(N)nc(C(F)F)n3)cc2F)cn1.
What is the InChIKey of 2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine?
The InChIKey is UGCOHWWLCBZUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N7/c1-24-6-7(4-20-24)8-5-19-11(2-9(8)15)22-12-3-10(18)21-14(23-12)13(16)17/h2-6,13H,1H3,(H3,18,19,21,22,23).
What are the key properties of 2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine?
2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine has a molecular weight of 335.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 170305718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).