N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine

C13H16N4O — CID 114600732

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine
SMILESCCc1cccnc1CNc1ncc(OC)cn1
InChIInChI=1S/C13H16N4O/c1-3-10-5-4-6-14-12(10)9-17-13-15-7-11(18-2)8-16-13/h4-8H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyCATXIJGNTMQUGH-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.05
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine

N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine (PubChem CID 114600732) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine
PubChem CID114600732
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine
SMILESCCc1cccnc1CNc1ncc(OC)cn1
InChIInChI=1S/C13H16N4O/c1-3-10-5-4-6-14-12(10)9-17-13-15-7-11(18-2)8-16-13/h4-8H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyCATXIJGNTMQUGH-UHFFFAOYSA-N
XLogP2.05
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-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-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine (CID 114600732) is N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine is CCc1cccnc1CNc1ncc(OC)cn1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine?
The InChIKey is CATXIJGNTMQUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-10-5-4-6-14-12(10)9-17-13-15-7-11(18-2)8-16-13/h4-8H,3,9H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 114600732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).