2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one

C8H13N3O2 — CID 137259074

IUPAC2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one
SMILESCOc1c(C)nc(C(C)N)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-4(9)7-10-5(2)6(13-3)8(12)11-7/h4H,9H2,1-3H3,(H,10,11,12)
InChIKeyZHDSRWCFSQQZSJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.11
Rot. Bonds2

About 2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one

2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one (PubChem CID 137259074) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one
PubChem CID137259074
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one
SMILESCOc1c(C)nc(C(C)N)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-4(9)7-10-5(2)6(13-3)8(12)11-7/h4H,9H2,1-3H3,(H,10,11,12)
InChIKeyZHDSRWCFSQQZSJ-UHFFFAOYSA-N
XLogP0.11
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one (CID 137259074) is 2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one is COc1c(C)nc(C(C)N)[nH]c1=O.
What is the InChIKey of 2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZHDSRWCFSQQZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4(9)7-10-5(2)6(13-3)8(12)11-7/h4H,9H2,1-3H3,(H,10,11,12).
What are the key properties of 2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one?
2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-methoxy-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137259074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).