2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C16H18F3N3O — CID 170161693

IUPAC2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NC1(C)CCC1)c1cc(=O)n2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H18F3N3O/c1-10(21-15(2)6-4-7-15)12-9-13(23)22-8-3-5-11(14(22)20-12)16(17,18)19/h3,5,8-10,21H,4,6-7H2,1-2H3
InChIKeyRVQCYGNMXSMBER-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.31
Rot. Bonds3

About 2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 170161693) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID170161693
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NC1(C)CCC1)c1cc(=O)n2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H18F3N3O/c1-10(21-15(2)6-4-7-15)12-9-13(23)22-8-3-5-11(14(22)20-12)16(17,18)19/h3,5,8-10,21H,4,6-7H2,1-2H3
InChIKeyRVQCYGNMXSMBER-UHFFFAOYSA-N
XLogP3.31
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 170161693) is 2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is CC(NC1(C)CCC1)c1cc(=O)n2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RVQCYGNMXSMBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-10(21-15(2)6-4-7-15)12-9-13(23)22-8-3-5-11(14(22)20-12)16(17,18)19/h3,5,8-10,21H,4,6-7H2,1-2H3.
What are the key properties of 2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylcyclobutyl)amino]ethyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170161693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).