2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine

C14H9F4N5 — CID 66823352

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESNc1cc2c(N)nc(-c3ccc(F)c(C(F)(F)F)c3)nc2cn1
InChIInChI=1S/C14H9F4N5/c15-9-2-1-6(3-8(9)14(16,17)18)13-22-10-5-21-11(19)4-7(10)12(20)23-13/h1-5H,(H2,19,21)(H2,20,22,23)
InChIKeyMJVYKBAJKNNFDW-UHFFFAOYSA-N
MW323.25 g/mol
LogP3.01
Rot. Bonds1

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine

2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 66823352) has the molecular formula C14H9F4N5 and a molecular weight of 323.25 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID66823352
Molecular FormulaC14H9F4N5
Molecular Weight323.25 g/mol
Exact Mass323.08
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESNc1cc2c(N)nc(-c3ccc(F)c(C(F)(F)F)c3)nc2cn1
InChIInChI=1S/C14H9F4N5/c15-9-2-1-6(3-8(9)14(16,17)18)13-22-10-5-21-11(19)4-7(10)12(20)23-13/h1-5H,(H2,19,21)(H2,20,22,23)
InChIKeyMJVYKBAJKNNFDW-UHFFFAOYSA-N
XLogP3.01
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107289625
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107290545
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 21025867
2-(4-fluoro-3-methylphenyl)-6-methylquinazolin-4-amine
CID 64983492
3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 54772290
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
5,8-difluoroisoquinolin-3-amine
CID 53418204
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
4-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119001740
7-chloro-2-(4-fluorophenyl)quinazolin-4-amine
CID 61026323
4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117367114

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine (CID 66823352) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine is Nc1cc2c(N)nc(-c3ccc(F)c(C(F)(F)F)c3)nc2cn1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is MJVYKBAJKNNFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N5/c15-9-2-1-6(3-8(9)14(16,17)18)13-22-10-5-21-11(19)4-7(10)12(20)23-13/h1-5H,(H2,19,21)(H2,20,22,23).
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 323.25 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 66823352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).