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

C17H20N6 — CID 14570326

IUPAC5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1cc(N(C)C)nc2ccc(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C17H20N6/c1-10-6-15(23(2)3)21-14-5-4-11(8-13(10)14)7-12-9-20-17(19)22-16(12)18/h4-6,8-9H,7H2,1-3H3,(H4,18,19,20,22)
InChIKeyYJBFILOZJHIMBB-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.15
Rot. Bonds3

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

5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 14570326) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine
PubChem CID14570326
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1cc(N(C)C)nc2ccc(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C17H20N6/c1-10-6-15(23(2)3)21-14-5-4-11(8-13(10)14)7-12-9-20-17(19)22-16(12)18/h4-6,8-9H,7H2,1-3H3,(H4,18,19,20,22)
InChIKeyYJBFILOZJHIMBB-UHFFFAOYSA-N
XLogP2.15
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine (CID 14570326) is 5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine is Cc1cc(N(C)C)nc2ccc(Cc3cnc(N)nc3N)cc12.
What is the InChIKey of 5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is YJBFILOZJHIMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-10-6-15(23(2)3)21-14-5-4-11(8-13(10)14)7-12-9-20-17(19)22-16(12)18/h4-6,8-9H,7H2,1-3H3,(H4,18,19,20,22).
What are the key properties of 5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-4-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14570326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).