2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine

C21H19N5O2 — CID 10133924

IUPAC2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3ccc4ncccc4c3)n2)cc1OC
InChIInChI=1S/C21H19N5O2/c1-27-18-8-6-16(13-19(18)28-2)25-21-23-11-9-20(26-21)24-15-5-7-17-14(12-15)4-3-10-22-17/h3-13H,1-2H3,(H2,23,24,25,26)
InChIKeyJUDNUJZMPJLZGA-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.53
Rot. Bonds6

About 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine

2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine (PubChem CID 10133924) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
PubChem CID10133924
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3ccc4ncccc4c3)n2)cc1OC
InChIInChI=1S/C21H19N5O2/c1-27-18-8-6-16(13-19(18)28-2)25-21-23-11-9-20(26-21)24-15-5-7-17-14(12-15)4-3-10-22-17/h3-13H,1-2H3,(H2,23,24,25,26)
InChIKeyJUDNUJZMPJLZGA-UHFFFAOYSA-N
XLogP4.53
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721
2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826934
2-N-(3H-benzimidazol-5-yl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 86210860
4-N-(3,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903113
6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
CID 117085172
2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 174734138
N-(4,6-dihydrazinylpyrimidin-2-yl)quinolin-6-amine
CID 139976319
2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 71225028
2-N-(4-tert-butylphenyl)-4-N-(3-chloro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903407
N,N-dimethylcyclohexanamine;2-methoxy-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenol;molecular hydrogen
CID 176696828
2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine
CID 71232363
2-N-(3,4-dimethoxyphenyl)-4-N-(6-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
CID 71224603

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine (CID 10133924) is 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine is COc1ccc(Nc2nccc(Nc3ccc4ncccc4c3)n2)cc1OC.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine?
The InChIKey is JUDNUJZMPJLZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-27-18-8-6-16(13-19(18)28-2)25-21-23-11-9-20(26-21)24-15-5-7-17-14(12-15)4-3-10-22-17/h3-13H,1-2H3,(H2,23,24,25,26).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine?
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine has a molecular weight of 373.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 10133924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).