2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one

C7H11N3O — CID 82416906

IUPAC2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(C(C)N)[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-4-3-9-6(5(2)8)10-7(4)11/h3,5H,8H2,1-2H3,(H,9,10,11)
InChIKeyMYXMVUSFLJXXIJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.10
Rot. Bonds1

About 2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one

2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 82416906) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID82416906
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(C(C)N)[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-4-3-9-6(5(2)8)10-7(4)11/h3,5H,8H2,1-2H3,(H,9,10,11)
InChIKeyMYXMVUSFLJXXIJ-UHFFFAOYSA-N
XLogP0.10
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
2-(Fluoromethyl)-5-methylpyrimidin-4(3H)-one
CID 22947838
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-Ethyl-5-methylpyrimidin-4(1H)-one
CID 18360616
5-amino-2-ethyl-1H-pyrimidin-6-one
CID 20276620
5-amino-2-propan-2-yl-1H-pyrimidin-6-one
CID 20276650
5-Methyl-2-(propan-2-yl)pyrimidin-4-ol
CID 24903844
2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride
CID 70283115
5-methyl-6-oxo-N-propan-2-yl-1H-pyrimidine-2-carboxamide
CID 121320991
2-(Aminomethyl)-5,6-dimethylpyrimidin-4-ol
CID 136103101
6-oxo-2-[(propan-2-ylamino)methyl]-1H-pyrimidine-5-carbonyl iodide
CID 137429718

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one (CID 82416906) is 2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one is Cc1cnc(C(C)N)[nH]c1=O.
What is the InChIKey of 2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is MYXMVUSFLJXXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-3-9-6(5(2)8)10-7(4)11/h3,5H,8H2,1-2H3,(H,9,10,11).
What are the key properties of 2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one?
2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 153.18 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 82416906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).