2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C14H12F5N5 — CID 141417445

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC1(F)CCN(c2nccc(Nc3cc(C(F)(F)F)ccn3)n2)C1
InChIInChI=1S/C14H12F5N5/c15-13(16)3-6-24(8-13)12-21-5-2-10(23-12)22-11-7-9(1-4-20-11)14(17,18)19/h1-2,4-5,7H,3,6,8H2,(H,20,21,22,23)
InChIKeyKGAYEZNABONDFU-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.48
Rot. Bonds3

About 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 141417445) has the molecular formula C14H12F5N5 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID141417445
Molecular FormulaC14H12F5N5
Molecular Weight345.28 g/mol
Exact Mass345.10
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC1(F)CCN(c2nccc(Nc3cc(C(F)(F)F)ccn3)n2)C1
InChIInChI=1S/C14H12F5N5/c15-13(16)3-6-24(8-13)12-21-5-2-10(23-12)22-11-7-9(1-4-20-11)14(17,18)19/h1-2,4-5,7H,3,6,8H2,(H,20,21,22,23)
InChIKeyKGAYEZNABONDFU-UHFFFAOYSA-N
XLogP3.48
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 141417445) is 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is FC1(F)CCN(c2nccc(Nc3cc(C(F)(F)F)ccn3)n2)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is KGAYEZNABONDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F5N5/c15-13(16)3-6-24(8-13)12-21-5-2-10(23-12)22-11-7-9(1-4-20-11)14(17,18)19/h1-2,4-5,7H,3,6,8H2,(H,20,21,22,23).
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 345.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 141417445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).