6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine

C14H17N5 — CID 80757302

IUPAC6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine
SMILESCC1CCc2ccccc2N1c1cc(N)nc(N)n1
InChIInChI=1S/C14H17N5/c1-9-6-7-10-4-2-3-5-11(10)19(9)13-8-12(15)17-14(16)18-13/h2-5,8-9H,6-7H2,1H3,(H4,15,16,17,18)
InChIKeyNOCXLJJNLOMBNQ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.11
Rot. Bonds1

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

6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine (PubChem CID 80757302) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine
PubChem CID80757302
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine
SMILESCC1CCc2ccccc2N1c1cc(N)nc(N)n1
InChIInChI=1S/C14H17N5/c1-9-6-7-10-4-2-3-5-11(10)19(9)13-8-12(15)17-14(16)18-13/h2-5,8-9H,6-7H2,1H3,(H4,15,16,17,18)
InChIKeyNOCXLJJNLOMBNQ-UHFFFAOYSA-N
XLogP2.11
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)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 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine (CID 80757302) is 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine is CC1CCc2ccccc2N1c1cc(N)nc(N)n1.
What is the InChIKey of 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is NOCXLJJNLOMBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-6-7-10-4-2-3-5-11(10)19(9)13-8-12(15)17-14(16)18-13/h2-5,8-9H,6-7H2,1H3,(H4,15,16,17,18).
What are the key properties of 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine?
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 255.33 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80757302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).