N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine

C12H21N3O — CID 114600609

IUPACN-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine
SMILESCCC(CC)C(C)Nc1ncc(OC)cn1
InChIInChI=1S/C12H21N3O/c1-5-10(6-2)9(3)15-12-13-7-11(16-4)8-14-12/h7-10H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyGLMSSBVJPNDMJI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.72
Rot. Bonds6

About N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine

N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine (PubChem CID 114600609) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine
PubChem CID114600609
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine
SMILESCCC(CC)C(C)Nc1ncc(OC)cn1
InChIInChI=1S/C12H21N3O/c1-5-10(6-2)9(3)15-12-13-7-11(16-4)8-14-12/h7-10H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyGLMSSBVJPNDMJI-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-ethylpentan-2-yl)-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-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine (CID 114600609) is N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine is CCC(CC)C(C)Nc1ncc(OC)cn1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine?
The InChIKey is GLMSSBVJPNDMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-10(6-2)9(3)15-12-13-7-11(16-4)8-14-12/h7-10H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine?
N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 114600609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).