2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one

C7H11N3O — CID 84649771

IUPAC2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(CN)[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-2-5-4-9-6(3-8)10-7(5)11/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyNIKNFJSSEHCXHC-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.21
Rot. Bonds2

About 2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one

2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 84649771) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one
PubChem CID84649771
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(CN)[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-2-5-4-9-6(3-8)10-7(5)11/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyNIKNFJSSEHCXHC-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

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
4-Pyrimidinol, 6-amino-5-ethyl-2-methyl-
CID 135854958
5-Acetyl-2-methylpyrimidin-4(3H)-one
CID 12194767
5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-Ethyl-5-methylpyrimidin-4(1H)-one
CID 18360616
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one (CID 84649771) is 2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(CN)[nH]c1=O.
What is the InChIKey of 2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is NIKNFJSSEHCXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-5-4-9-6(3-8)10-7(5)11/h4H,2-3,8H2,1H3,(H,9,10,11).
What are the key properties of 2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one?
2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-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 2-(aminomethyl)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 84649771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).