N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine

C9H7F3N4 — CID 155253664

IUPACN-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2ccc(C(F)(F)F)nc2n1
InChIInChI=1S/C9H7F3N4/c1-13-8-14-4-5-2-3-6(9(10,11)12)15-7(5)16-8/h2-4H,1H3,(H,13,14,15,16)
InChIKeyRHJWRRZXJIYNJG-UHFFFAOYSA-N
MW228.18 g/mol
LogP2.09
Rot. Bonds1

About N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine

N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 155253664) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine
PubChem CID155253664
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC NameN-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2ccc(C(F)(F)F)nc2n1
InChIInChI=1S/C9H7F3N4/c1-13-8-14-4-5-2-3-6(9(10,11)12)15-7(5)16-8/h2-4H,1H3,(H,13,14,15,16)
InChIKeyRHJWRRZXJIYNJG-UHFFFAOYSA-N
XLogP2.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine (CID 155253664) is N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine is CNc1ncc2ccc(C(F)(F)F)nc2n1.
What is the InChIKey of N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is RHJWRRZXJIYNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-13-8-14-4-5-2-3-6(9(10,11)12)15-7(5)16-8/h2-4H,1H3,(H,13,14,15,16).
What are the key properties of N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine?
N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 228.18 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 155253664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).