2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine

C18H22N6 — CID 112913095

IUPAC2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc3cccnc23)nc(NCCN(C)C)n1
InChIInChI=1S/C18H22N6/c1-13-12-16(23-18(21-13)20-10-11-24(2)3)22-15-8-4-6-14-7-5-9-19-17(14)15/h4-9,12H,10-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyAYAKXKMGFDVLNS-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.05
Rot. Bonds6

About 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine

2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112913095) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112913095
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc3cccnc23)nc(NCCN(C)C)n1
InChIInChI=1S/C18H22N6/c1-13-12-16(23-18(21-13)20-10-11-24(2)3)22-15-8-4-6-14-7-5-9-19-17(14)15/h4-9,12H,10-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyAYAKXKMGFDVLNS-UHFFFAOYSA-N
XLogP3.05
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112925343
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650
4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112913041
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112918650
2-N-(3-chlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929778
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
4-N-(3-methoxypropyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112911848
2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112932059
4-N-(2,4-difluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112932073
6-methyl-4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931046
4-N-(3-fluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931870
4-N-(3-chlorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112929729

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112913095) is 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc3cccnc23)nc(NCCN(C)C)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is AYAKXKMGFDVLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-13-12-16(23-18(21-13)20-10-11-24(2)3)22-15-8-4-6-14-7-5-9-19-17(14)15/h4-9,12H,10-11H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 322.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112913095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).