4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine

C10H13N3O — CID 112637451

IUPAC4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
SMILESC#CCNc1nc(C)cc(OCC)n1
InChIInChI=1S/C10H13N3O/c1-4-6-11-10-12-8(3)7-9(13-10)14-5-2/h1,7H,5-6H2,2-3H3,(H,11,12,13)
InChIKeyIXTNSCPEEILJTB-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.23
Rot. Bonds4

About 4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine

4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine (PubChem CID 112637451) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
PubChem CID112637451
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
SMILESC#CCNc1nc(C)cc(OCC)n1
InChIInChI=1S/C10H13N3O/c1-4-6-11-10-12-8(3)7-9(13-10)14-5-2/h1,7H,5-6H2,2-3H3,(H,11,12,13)
InChIKeyIXTNSCPEEILJTB-UHFFFAOYSA-N
XLogP1.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-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

Related Compounds

N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine
CID 106231121
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635793
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 112638194
4-ethoxy-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 112637077
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
4-ethoxy-6-methyl-N-piperidin-1-ylpyrimidin-2-amine
CID 112638433

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine (CID 112637451) is 4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine is C#CCNc1nc(C)cc(OCC)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine?
The InChIKey is IXTNSCPEEILJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-6-11-10-12-8(3)7-9(13-10)14-5-2/h1,7H,5-6H2,2-3H3,(H,11,12,13).
What are the key properties of 4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine?
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine has a molecular weight of 191.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine is sourced from PubChem (CID 112637451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).