2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one

C7H13N3O — CID 145461138

IUPAC2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(C)N=C1N
InChIInChI=1S/C7H13N3O/c1-7(2)4-5(11)10(3)6(8)9-7/h4H2,1-3H3,(H2,8,9)
InChIKeyMDUKNALFVKMSGF-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.06
Rot. Bonds

About 2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one

2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one (PubChem CID 145461138) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one
PubChem CID145461138
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(C)N=C1N
InChIInChI=1S/C7H13N3O/c1-7(2)4-5(11)10(3)6(8)9-7/h4H2,1-3H3,(H2,8,9)
InChIKeyMDUKNALFVKMSGF-UHFFFAOYSA-N
XLogP-0.06
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-2-amino-6-(2,5-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388920
(6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388038
(6S)-2-amino-6-[2-fluoro-5-(4-methylphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 67966792
(6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387896
acetylene;2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;ethane
CID 156742922
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 23731035
CID 89085478
CID 89085478
(6S)-2-amino-6-(4-cyclopropylthiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59386803
(6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one
CID 70129994
(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one
CID 59387014
(6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one
CID 59387163
4-ethyl-1,4-dimethylpiperidine-2,6-dione
CID 544425

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one (CID 145461138) is 2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one is CN1C(=O)CC(C)(C)N=C1N.
What is the InChIKey of 2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one?
The InChIKey is MDUKNALFVKMSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-7(2)4-5(11)10(3)6(8)9-7/h4H2,1-3H3,(H2,8,9).
What are the key properties of 2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one?
2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one has a molecular weight of 155.20 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6,6-trimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 145461138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).