7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

C18H17F3N4 — CID 19257080

IUPAC7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc2ncnc(N)c2c(-c2ccc(C(F)(F)F)cc2)c1C(C)C
InChIInChI=1S/C18H17F3N4/c1-9(2)13-10(3)25-17-15(16(22)23-8-24-17)14(13)11-4-6-12(7-5-11)18(19,20)21/h4-9H,1-3H3,(H2,22,23,24,25)
InChIKeyBDCTWTNJVVNPRC-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.72
Rot. Bonds2

About 7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 19257080) has the molecular formula C18H17F3N4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID19257080
Molecular FormulaC18H17F3N4
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc2ncnc(N)c2c(-c2ccc(C(F)(F)F)cc2)c1C(C)C
InChIInChI=1S/C18H17F3N4/c1-9(2)13-10(3)25-17-15(16(22)23-8-24-17)14(13)11-4-6-12(7-5-11)18(19,20)21/h4-9H,1-3H3,(H2,22,23,24,25)
InChIKeyBDCTWTNJVVNPRC-UHFFFAOYSA-N
XLogP4.72
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 19257080) is 7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is Cc1nc2ncnc(N)c2c(-c2ccc(C(F)(F)F)cc2)c1C(C)C.
What is the InChIKey of 7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is BDCTWTNJVVNPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4/c1-9(2)13-10(3)25-17-15(16(22)23-8-24-17)14(13)11-4-6-12(7-5-11)18(19,20)21/h4-9H,1-3H3,(H2,22,23,24,25).
What are the key properties of 7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 346.36 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 19257080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).