4-amino-1,3-dimethyl-4H-pyrimidin-2-one

C6H11N3O — CID 15895115

IUPAC4-amino-1,3-dimethyl-4H-pyrimidin-2-one
SMILESCN1C=CC(N)N(C)C1=O
InChIInChI=1S/C6H11N3O/c1-8-4-3-5(7)9(2)6(8)10/h3-5H,7H2,1-2H3
InChIKeyWKPMFEMKRZWUNR-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.22
Rot. Bonds

About 4-amino-1,3-dimethyl-4H-pyrimidin-2-one

4-amino-1,3-dimethyl-4H-pyrimidin-2-one (PubChem CID 15895115) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-4H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-4H-pyrimidin-2-one
PubChem CID15895115
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-amino-1,3-dimethyl-4H-pyrimidin-2-one
SMILESCN1C=CC(N)N(C)C1=O
InChIInChI=1S/C6H11N3O/c1-8-4-3-5(7)9(2)6(8)10/h3-5H,7H2,1-2H3
InChIKeyWKPMFEMKRZWUNR-UHFFFAOYSA-N
XLogP-0.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-4H-pyrimidin-2-one?
The IUPAC name of 4-amino-1,3-dimethyl-4H-pyrimidin-2-one (CID 15895115) is 4-amino-1,3-dimethyl-4H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-1,3-dimethyl-4H-pyrimidin-2-one?
The canonical SMILES for 4-amino-1,3-dimethyl-4H-pyrimidin-2-one is CN1C=CC(N)N(C)C1=O.
What is the InChIKey of 4-amino-1,3-dimethyl-4H-pyrimidin-2-one?
The InChIKey is WKPMFEMKRZWUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-8-4-3-5(7)9(2)6(8)10/h3-5H,7H2,1-2H3.
What are the key properties of 4-amino-1,3-dimethyl-4H-pyrimidin-2-one?
4-amino-1,3-dimethyl-4H-pyrimidin-2-one has a molecular weight of 141.17 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-4H-pyrimidin-2-one is sourced from PubChem (CID 15895115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).