5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine

C18H22N6O — CID 14570339

IUPAC5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c(N(C)C)cc(C)nc12
InChIInChI=1S/C18H22N6O/c1-10-5-14(24(2)3)13-7-11(8-15(25-4)16(13)22-10)6-12-9-21-18(20)23-17(12)19/h5,7-9H,6H2,1-4H3,(H4,19,20,21,23)
InChIKeyRYQAESQAKKCAGW-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.16
Rot. Bonds4

About 5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine

5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 14570339) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine
PubChem CID14570339
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c(N(C)C)cc(C)nc12
InChIInChI=1S/C18H22N6O/c1-10-5-14(24(2)3)13-7-11(8-15(25-4)16(13)22-10)6-12-9-21-18(20)23-17(12)19/h5,7-9H,6H2,1-4H3,(H4,19,20,21,23)
InChIKeyRYQAESQAKKCAGW-UHFFFAOYSA-N
XLogP2.16
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine (CID 14570339) is 5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc2c(N(C)C)cc(C)nc12.
What is the InChIKey of 5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is RYQAESQAKKCAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-10-5-14(24(2)3)13-7-11(8-15(25-4)16(13)22-10)6-12-9-21-18(20)23-17(12)19/h5,7-9H,6H2,1-4H3,(H4,19,20,21,23).
What are the key properties of 5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 338.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14570339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).