5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine

C15H19N5 — CID 23323042

IUPAC5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCC1CCNc2ccc(Cc3cnc(N)nc3N)cc21
InChIInChI=1S/C15H19N5/c1-9-4-5-18-13-3-2-10(7-12(9)13)6-11-8-19-15(17)20-14(11)16/h2-3,7-9,18H,4-6H2,1H3,(H4,16,17,19,20)
InChIKeyDMGSYGBIKYHPEJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.15
Rot. Bonds2

About 5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine

5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323042) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323042
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCC1CCNc2ccc(Cc3cnc(N)nc3N)cc21
InChIInChI=1S/C15H19N5/c1-9-4-5-18-13-3-2-10(7-12(9)13)6-11-8-19-15(17)20-14(11)16/h2-3,7-9,18H,4-6H2,1H3,(H4,16,17,19,20)
InChIKeyDMGSYGBIKYHPEJ-UHFFFAOYSA-N
XLogP2.15
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(4-methyl-1,2,3,4-tetrahydroquinolin-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-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323042) is 5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine is CC1CCNc2ccc(Cc3cnc(N)nc3N)cc21.
What is the InChIKey of 5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is DMGSYGBIKYHPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-9-4-5-18-13-3-2-10(7-12(9)13)6-11-8-19-15(17)20-14(11)16/h2-3,7-9,18H,4-6H2,1H3,(H4,16,17,19,20).
What are the key properties of 5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).