1-(2-aminoethyl)-4-methylpyrimidin-2-one

C7H11N3O — CID 82651652

IUPAC1-(2-aminoethyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CCN)c(=O)n1
InChIInChI=1S/C7H11N3O/c1-6-2-4-10(5-3-8)7(11)9-6/h2,4H,3,5,8H2,1H3
InChIKeyWOEVBBNJABQYQV-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.49
Rot. Bonds2

About 1-(2-aminoethyl)-4-methylpyrimidin-2-one

1-(2-aminoethyl)-4-methylpyrimidin-2-one (PubChem CID 82651652) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-methylpyrimidin-2-one
PubChem CID82651652
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-(2-aminoethyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CCN)c(=O)n1
InChIInChI=1S/C7H11N3O/c1-6-2-4-10(5-3-8)7(11)9-6/h2,4H,3,5,8H2,1H3
InChIKeyWOEVBBNJABQYQV-UHFFFAOYSA-N
XLogP-0.49
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-methylpyrimidin-2-one?
The IUPAC name of 1-(2-aminoethyl)-4-methylpyrimidin-2-one (CID 82651652) is 1-(2-aminoethyl)-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-4-methylpyrimidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-4-methylpyrimidin-2-one is Cc1ccn(CCN)c(=O)n1.
What is the InChIKey of 1-(2-aminoethyl)-4-methylpyrimidin-2-one?
The InChIKey is WOEVBBNJABQYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6-2-4-10(5-3-8)7(11)9-6/h2,4H,3,5,8H2,1H3.
What are the key properties of 1-(2-aminoethyl)-4-methylpyrimidin-2-one?
1-(2-aminoethyl)-4-methylpyrimidin-2-one has a molecular weight of 153.19 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-methylpyrimidin-2-one is sourced from PubChem (CID 82651652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).