1-(2-methylpyrimidin-4-yl)propan-1-amine

C8H13N3 — CID 115530124

IUPAC1-(2-methylpyrimidin-4-yl)propan-1-amine
SMILESCCC(N)c1ccnc(C)n1
InChIInChI=1S/C8H13N3/c1-3-7(9)8-4-5-10-6(2)11-8/h4-5,7H,3,9H2,1-2H3
InChIKeyRQHMSQOVEOWUON-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.19
Rot. Bonds2

About 1-(2-methylpyrimidin-4-yl)propan-1-amine

1-(2-methylpyrimidin-4-yl)propan-1-amine (PubChem CID 115530124) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)propan-1-amine
PubChem CID115530124
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-(2-methylpyrimidin-4-yl)propan-1-amine
SMILESCCC(N)c1ccnc(C)n1
InChIInChI=1S/C8H13N3/c1-3-7(9)8-4-5-10-6(2)11-8/h4-5,7H,3,9H2,1-2H3
InChIKeyRQHMSQOVEOWUON-UHFFFAOYSA-N
XLogP1.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)propan-1-amine?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)propan-1-amine (CID 115530124) is 1-(2-methylpyrimidin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)propan-1-amine is CCC(N)c1ccnc(C)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)propan-1-amine?
The InChIKey is RQHMSQOVEOWUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-7(9)8-4-5-10-6(2)11-8/h4-5,7H,3,9H2,1-2H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)propan-1-amine?
1-(2-methylpyrimidin-4-yl)propan-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.19, 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)propan-1-amine is sourced from PubChem (CID 115530124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).