6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine

C20H21N5 — CID 19147319

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(N3CCCc4ccccc43)c2N)cc1
InChIInChI=1S/C20H21N5/c1-14-8-10-16(11-9-14)24-19-18(21)20(23-13-22-19)25-12-4-6-15-5-2-3-7-17(15)25/h2-3,5,7-11,13H,4,6,12,21H2,1H3,(H,22,23,24)
InChIKeyLDKHDNPJMZXOFP-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.20
Rot. Bonds3

About 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine

6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 19147319) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
PubChem CID19147319
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Nc2ncnc(N3CCCc4ccccc43)c2N)cc1
InChIInChI=1S/C20H21N5/c1-14-8-10-16(11-9-14)24-19-18(21)20(23-13-22-19)25-12-4-6-15-5-2-3-7-17(15)25/h2-3,5,7-11,13H,4,6,12,21H2,1H3,(H,22,23,24)
InChIKeyLDKHDNPJMZXOFP-UHFFFAOYSA-N
XLogP4.20
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545603
4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147403
4-N-(3,4-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543153
4-N-(5-chloro-2-pyridinyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147069
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 19147420
6-(2,3-dihydroindol-1-yl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 22543223
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136949
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 23484858
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245
N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147361
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80749716

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine (CID 19147319) is 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine is Cc1ccc(Nc2ncnc(N3CCCc4ccccc43)c2N)cc1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is LDKHDNPJMZXOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14-8-10-16(11-9-14)24-19-18(21)20(23-13-22-19)25-12-4-6-15-5-2-3-7-17(15)25/h2-3,5,7-11,13H,4,6,12,21H2,1H3,(H,22,23,24).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine?
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 331.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19147319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).