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

C23H22N6 — CID 19147420

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
SMILESCc1ccc2c(Nc3ncnc(N4CCCc5ccccc54)c3N)cccc2n1
InChIInChI=1S/C23H22N6/c1-15-11-12-17-18(27-15)8-4-9-19(17)28-22-21(24)23(26-14-25-22)29-13-5-7-16-6-2-3-10-20(16)29/h2-4,6,8-12,14H,5,7,13,24H2,1H3,(H,25,26,28)
InChIKeyMEALHZIMPOGUPQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.74
Rot. Bonds3

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

6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine (PubChem CID 19147420) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
PubChem CID19147420
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
SMILESCc1ccc2c(Nc3ncnc(N4CCCc5ccccc54)c3N)cccc2n1
InChIInChI=1S/C23H22N6/c1-15-11-12-17-18(27-15)8-4-9-19(17)28-22-21(24)23(26-14-25-22)29-13-5-7-16-6-2-3-10-20(16)29/h2-4,6,8-12,14H,5,7,13,24H2,1H3,(H,25,26,28)
InChIKeyMEALHZIMPOGUPQ-UHFFFAOYSA-N
XLogP4.74
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine with MolForge

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Related Compounds

6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 19140413
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545603
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19147319
4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19137237
6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 23477635
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147403
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,4-N-dimethylpyrimidine-4,5-diamine
CID 19136949
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19150697
N'-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19147361

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine (CID 19147420) is 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine is Cc1ccc2c(Nc3ncnc(N4CCCc5ccccc54)c3N)cccc2n1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
The InChIKey is MEALHZIMPOGUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-15-11-12-17-18(27-15)8-4-9-19(17)28-22-21(24)23(26-14-25-22)29-13-5-7-16-6-2-3-10-20(16)29/h2-4,6,8-12,14H,5,7,13,24H2,1H3,(H,25,26,28).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine has a molecular weight of 382.47 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19147420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).