5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine

C12H15F3N4 — CID 45490285

IUPAC5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCCNC1(C(F)(F)F)N=CNc2ccnc(C)c21
InChIInChI=1S/C12H15F3N4/c1-3-5-18-11(12(13,14)15)10-8(2)16-6-4-9(10)17-7-19-11/h4,6-7,18H,3,5H2,1-2H3,(H,17,19)
InChIKeyGNQYNSPHPDZKBP-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.56
Rot. Bonds3

About 5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine

5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 45490285) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID45490285
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCCNC1(C(F)(F)F)N=CNc2ccnc(C)c21
InChIInChI=1S/C12H15F3N4/c1-3-5-18-11(12(13,14)15)10-8(2)16-6-4-9(10)17-7-19-11/h4,6-7,18H,3,5H2,1-2H3,(H,17,19)
InChIKeyGNQYNSPHPDZKBP-UHFFFAOYSA-N
XLogP2.56
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine (CID 45490285) is 5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine is CCCNC1(C(F)(F)F)N=CNc2ccnc(C)c21.
What is the InChIKey of 5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is GNQYNSPHPDZKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-3-5-18-11(12(13,14)15)10-8(2)16-6-4-9(10)17-7-19-11/h4,6-7,18H,3,5H2,1-2H3,(H,17,19).
What are the key properties of 5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine?
5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 272.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45490285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).