1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine

C8H11N3 — CID 115530047

IUPAC1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
SMILESC=CC(N)c1ccnc(C)n1
InChIInChI=1S/C8H11N3/c1-3-7(9)8-4-5-10-6(2)11-8/h3-5,7H,1,9H2,2H3
InChIKeyYDLXPCCPDDBTJH-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.97
Rot. Bonds2

About 1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine

1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine (PubChem CID 115530047) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
PubChem CID115530047
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
SMILESC=CC(N)c1ccnc(C)n1
InChIInChI=1S/C8H11N3/c1-3-7(9)8-4-5-10-6(2)11-8/h3-5,7H,1,9H2,2H3
InChIKeyYDLXPCCPDDBTJH-UHFFFAOYSA-N
XLogP0.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(6-methyl-2-pyridinyl)prop-2-en-1-amine
CID 130619604
1-(6-methylpyridazin-3-yl)prop-2-en-1-amine
CID 130909691
(1R)-1-(5-fluoro-6-methyl-2-pyridinyl)prop-2-en-1-amine
CID 55273784
(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530103
(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941101
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
1-(4-chloro-2-pyridinyl)prop-2-en-1-amine
CID 55294042
4-methyl-3-(2-methylpyrimidin-4-yl)pentan-2-ol
CID 63200606
(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 115530132
1-amino-2-methyl-1-(2-methylpyrimidin-4-yl)butan-2-ol
CID 82400121
3-amino-3-(2-methylpyrimidin-4-yl)propanamide
CID 115527138
1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine (CID 115530047) is 1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine is C=CC(N)c1ccnc(C)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
The InChIKey is YDLXPCCPDDBTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-7(9)8-4-5-10-6(2)11-8/h3-5,7H,1,9H2,2H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine has a molecular weight of 149.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 115530047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).