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

C8H13N3O — CID 84652722

IUPAC2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(CCN)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-2-6-5-10-7(3-4-9)11-8(6)12/h5H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyRIRMFDCPUSXNTD-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.17
Rot. Bonds3

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

2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 84652722) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one
PubChem CID84652722
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(CCN)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-2-6-5-10-7(3-4-9)11-8(6)12/h5H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyRIRMFDCPUSXNTD-UHFFFAOYSA-N
XLogP-0.17
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.17
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
5-Acetyl-2-methylpyrimidin-4(3H)-one
CID 12194767
5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
2-pentan-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 176560736
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
5-(aminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 104189962
5-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206257
5-(propylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206280
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one (CID 84652722) is 2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(CCN)[nH]c1=O.
What is the InChIKey of 2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is RIRMFDCPUSXNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-6-5-10-7(3-4-9)11-8(6)12/h5H,2-4,9H2,1H3,(H,10,11,12).
What are the key properties of 2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one?
2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 84652722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).