N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine

C13H19N5 — CID 66117684

IUPACN,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cncn2C)nc(CC)c1C
InChIInChI=1S/C13H19N5/c1-5-10-9(3)12(15-6-2)17-13(16-10)11-7-14-8-18(11)4/h7-8H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyLHUBAWJBTYPCHV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.18
Rot. Bonds4

About N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine

N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine (PubChem CID 66117684) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine
PubChem CID66117684
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cncn2C)nc(CC)c1C
InChIInChI=1S/C13H19N5/c1-5-10-9(3)12(15-6-2)17-13(16-10)11-7-14-8-18(11)4/h7-8H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyLHUBAWJBTYPCHV-UHFFFAOYSA-N
XLogP2.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine 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 N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine (CID 66117684) is N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine is CCNc1nc(-c2cncn2C)nc(CC)c1C.
What is the InChIKey of N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine?
The InChIKey is LHUBAWJBTYPCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-10-9(3)12(15-6-2)17-13(16-10)11-7-14-8-18(11)4/h7-8H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine?
N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66117684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).