4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine

C20H16ClN5O — CID 112866059

IUPAC4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESCOc1ccc(Cl)cc1Nc1cc(Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C20H16ClN5O/c1-27-17-8-7-14(21)10-16(17)26-19-11-18(23-12-24-19)25-15-6-2-4-13-5-3-9-22-20(13)15/h2-12H,1H3,(H2,23,24,25,26)
InChIKeyUQQAPJONUKHKAF-UHFFFAOYSA-N
MW377.84 g/mol
LogP5.17
Rot. Bonds5

About 4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine

4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine (PubChem CID 112866059) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine
PubChem CID112866059
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESCOc1ccc(Cl)cc1Nc1cc(Nc2cccc3cccnc23)ncn1
InChIInChI=1S/C20H16ClN5O/c1-27-17-8-7-14(21)10-16(17)26-19-11-18(23-12-24-19)25-15-6-2-4-13-5-3-9-22-20(13)15/h2-12H,1H3,(H2,23,24,25,26)
InChIKeyUQQAPJONUKHKAF-UHFFFAOYSA-N
XLogP5.17
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.84
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112862636
6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112867081
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
CID 43450176
3-[[6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193141
4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866573
6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112865422
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906494
2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112932059
N-(5-chloro-2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435164
6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine (CID 112866059) is 4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine is COc1ccc(Cl)cc1Nc1cc(Nc2cccc3cccnc23)ncn1.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine?
The InChIKey is UQQAPJONUKHKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-27-17-8-7-14(21)10-16(17)26-19-11-18(23-12-24-19)25-15-6-2-4-13-5-3-9-22-20(13)15/h2-12H,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine?
4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine has a molecular weight of 377.84 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112866059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).