6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine

C18H19N5 — CID 133294768

IUPAC6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCc2ncccc2C)nc(-c2ccncc2)n1
InChIInChI=1S/C18H19N5/c1-3-15-11-17(21-12-16-13(2)5-4-8-20-16)23-18(22-15)14-6-9-19-10-7-14/h4-11H,3,12H2,1-2H3,(H,21,22,23)
InChIKeyMGEDSGKVONSHIV-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.42
Rot. Bonds5

About 6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine

6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133294768) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133294768
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NCc2ncccc2C)nc(-c2ccncc2)n1
InChIInChI=1S/C18H19N5/c1-3-15-11-17(21-12-16-13(2)5-4-8-20-16)23-18(22-15)14-6-9-19-10-7-14/h4-11H,3,12H2,1-2H3,(H,21,22,23)
InChIKeyMGEDSGKVONSHIV-UHFFFAOYSA-N
XLogP3.42
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-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 6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine (CID 133294768) is 6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine is CCc1cc(NCc2ncccc2C)nc(-c2ccncc2)n1.
What is the InChIKey of 6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is MGEDSGKVONSHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-3-15-11-17(21-12-16-13(2)5-4-8-20-16)23-18(22-15)14-6-9-19-10-7-14/h4-11H,3,12H2,1-2H3,(H,21,22,23).
What are the key properties of 6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine?
6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(3-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133294768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).