6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one

C7H11N3O — CID 82416934

IUPAC6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one
SMILESCCc1cc(CN)[nH]c(=O)n1
InChIInChI=1S/C7H11N3O/c1-2-5-3-6(4-8)10-7(11)9-5/h3H,2,4,8H2,1H3,(H,9,10,11)
InChIKeyRBBQBQBBAYQJMH-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.21
Rot. Bonds2

About 6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one

6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one (PubChem CID 82416934) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one
PubChem CID82416934
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one
SMILESCCc1cc(CN)[nH]c(=O)n1
InChIInChI=1S/C7H11N3O/c1-2-5-3-6(4-8)10-7(11)9-5/h3H,2,4,8H2,1H3,(H,9,10,11)
InChIKeyRBBQBQBBAYQJMH-UHFFFAOYSA-N
XLogP-0.21
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-4,6-dimethylpyrimidine
CID 9508
6-Ethyl-4-methyl-1,2-dihydropyrimidin-2-one
CID 12343172
6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 82402396
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848427
6-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848429
1-(2-aminoethyl)-4,6-dimethylpyrimidin-2(1H)-one
CID 1511764
4,6-Dimethyl-1-[2-(methylamino)ethyl]pyrimidin-2-one
CID 61386999
4,6-diethyl-1H-pyrimidin-2-one
CID 68882753
[4-(Aminomethylimino)cyclohexa-1,5-dien-1-yl]urea
CID 141109200
6-[1-(methylideneamino)ethyl]-1H-pyrimidin-2-one
CID 163979397
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)ethylazanium
CID 7200828
1-[2-(Ethylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 61387014

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one (CID 82416934) is 6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one is CCc1cc(CN)[nH]c(=O)n1.
What is the InChIKey of 6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one?
The InChIKey is RBBQBQBBAYQJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-5-3-6(4-8)10-7(11)9-5/h3H,2,4,8H2,1H3,(H,9,10,11).
What are the key properties of 6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one?
6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one has a molecular weight of 153.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-ethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 82416934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).