2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine

C16H12F3N5 — CID 135368375

IUPAC2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)C1(Nc2nc(-c3ccncc3)nc3cnccc23)CC1
InChIInChI=1S/C16H12F3N5/c17-16(18,19)15(4-5-15)24-14-11-3-8-21-9-12(11)22-13(23-14)10-1-6-20-7-2-10/h1-3,6-9H,4-5H2,(H,22,23,24)
InChIKeyACTDLFQRJKPKFQ-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.59
Rot. Bonds3

About 2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine

2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 135368375) has the molecular formula C16H12F3N5 and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID135368375
Molecular FormulaC16H12F3N5
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESFC(F)(F)C1(Nc2nc(-c3ccncc3)nc3cnccc23)CC1
InChIInChI=1S/C16H12F3N5/c17-16(18,19)15(4-5-15)24-14-11-3-8-21-9-12(11)22-13(23-14)10-1-6-20-7-2-10/h1-3,6-9H,4-5H2,(H,22,23,24)
InChIKeyACTDLFQRJKPKFQ-UHFFFAOYSA-N
XLogP3.59
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine (CID 135368375) is 2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine is FC(F)(F)C1(Nc2nc(-c3ccncc3)nc3cnccc23)CC1.
What is the InChIKey of 2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ACTDLFQRJKPKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5/c17-16(18,19)15(4-5-15)24-14-11-3-8-21-9-12(11)22-13(23-14)10-1-6-20-7-2-10/h1-3,6-9H,4-5H2,(H,22,23,24).
What are the key properties of 2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine?
2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 331.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 135368375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).