N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine

C20H19ClN4O — CID 112902403

IUPACN-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1ccnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C20H19ClN4O/c1-26-18-9-8-15(21)13-16(18)23-19-10-11-22-20(24-19)25-12-4-6-14-5-2-3-7-17(14)25/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,23,24)
InChIKeyIWGAAPCTFJHWKD-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.97
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine

N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine (PubChem CID 112902403) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
PubChem CID112902403
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1Nc1ccnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C20H19ClN4O/c1-26-18-9-8-15(21)13-16(18)23-19-10-11-22-20(24-19)25-12-4-6-14-5-2-3-7-17(14)25/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,23,24)
InChIKeyIWGAAPCTFJHWKD-UHFFFAOYSA-N
XLogP4.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902343
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112902442
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112902288
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112891691
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 112894394
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112902414
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
CID 112898537
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
2-N-(2-tert-butylphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903352
N-(5-chloro-2-methoxyphenyl)-6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-amine
CID 23481676
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112906637
4-N-(5-chloro-2-methoxyphenyl)-2-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903886

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine (CID 112902403) is N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine is COc1ccc(Cl)cc1Nc1ccnc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
The InChIKey is IWGAAPCTFJHWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-26-18-9-8-15(21)13-16(18)23-19-10-11-22-20(24-19)25-12-4-6-14-5-2-3-7-17(14)25/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,23,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine?
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine has a molecular weight of 366.85 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112902403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).