N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine

C20H13F3N4 — CID 10248318

IUPACN-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine
SMILESFC(F)(F)c1ccc(-c2cc(Nc3ccc4cccnc4c3)ncn2)cc1
InChIInChI=1S/C20H13F3N4/c21-20(22,23)15-6-3-14(4-7-15)18-11-19(26-12-25-18)27-16-8-5-13-2-1-9-24-17(13)10-16/h1-12H,(H,25,26,27)
InChIKeyBFZXCGOWJMWJHM-UHFFFAOYSA-N
MW366.35 g/mol
LogP5.45
Rot. Bonds3

About N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine

N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine (PubChem CID 10248318) has the molecular formula C20H13F3N4 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine.

Molecular Properties

Compound NameN-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine
PubChem CID10248318
Molecular FormulaC20H13F3N4
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC NameN-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine
SMILESFC(F)(F)c1ccc(-c2cc(Nc3ccc4cccnc4c3)ncn2)cc1
InChIInChI=1S/C20H13F3N4/c21-20(22,23)15-6-3-14(4-7-15)18-11-19(26-12-25-18)27-16-8-5-13-2-1-9-24-17(13)10-16/h1-12H,(H,25,26,27)
InChIKeyBFZXCGOWJMWJHM-UHFFFAOYSA-N
XLogP5.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.35
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Spautin-1
CID 51037431
Ngd-8243
CID 11247522
A804598
CID 53325874
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Jnj-38893777
CID 16742146
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
Senexin A
CID 56927063
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine?
The IUPAC name of N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine (CID 10248318) is N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine.
What is the SMILES notation for N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine?
The canonical SMILES for N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine is FC(F)(F)c1ccc(-c2cc(Nc3ccc4cccnc4c3)ncn2)cc1.
What is the InChIKey of N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine?
The InChIKey is BFZXCGOWJMWJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4/c21-20(22,23)15-6-3-14(4-7-15)18-11-19(26-12-25-18)27-16-8-5-13-2-1-9-24-17(13)10-16/h1-12H,(H,25,26,27).
What are the key properties of N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine?
N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine has a molecular weight of 366.35 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]quinolin-7-amine is sourced from PubChem (CID 10248318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).