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

C21H19N5O2 — CID 10270679

IUPAC2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1OC
InChIInChI=1S/C21H19N5O2/c1-27-18-8-7-15(12-19(18)28-2)25-21-22-10-9-20(26-21)24-16-11-14-5-3-4-6-17(14)23-13-16/h3-13H,1-2H3,(H2,22,24,25,26)
InChIKeyKKZHTAYUVGTMSF-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.53
Rot. Bonds6

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

2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (PubChem CID 10270679) 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-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
PubChem CID10270679
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1OC
InChIInChI=1S/C21H19N5O2/c1-27-18-8-7-15(12-19(18)28-2)25-21-22-10-9-20(26-21)24-16-11-14-5-3-4-6-17(14)23-13-16/h3-13H,1-2H3,(H2,22,24,25,26)
InChIKeyKKZHTAYUVGTMSF-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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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (CID 10270679) is 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1OC.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The InChIKey is KKZHTAYUVGTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-27-18-8-7-15(12-19(18)28-2)25-21-22-10-9-20(26-21)24-16-11-14-5-3-4-6-17(14)23-13-16/h3-13H,1-2H3,(H2,22,24,25,26).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-3-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-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 10270679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).