5-amino-1-(2-methylpropyl)pyrimidin-4-one

C8H13N3O — CID 115114452

IUPAC5-amino-1-(2-methylpropyl)pyrimidin-4-one
SMILESCC(C)Cn1cnc(=O)c(N)c1
InChIInChI=1S/C8H13N3O/c1-6(2)3-11-4-7(9)8(12)10-5-11/h4-6H,3,9H2,1-2H3
InChIKeyNTUZKRHKMISLSE-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.48
Rot. Bonds2

About 5-amino-1-(2-methylpropyl)pyrimidin-4-one

5-amino-1-(2-methylpropyl)pyrimidin-4-one (PubChem CID 115114452) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-amino-1-(2-methylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(2-methylpropyl)pyrimidin-4-one
PubChem CID115114452
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-amino-1-(2-methylpropyl)pyrimidin-4-one
SMILESCC(C)Cn1cnc(=O)c(N)c1
InChIInChI=1S/C8H13N3O/c1-6(2)3-11-4-7(9)8(12)10-5-11/h4-6H,3,9H2,1-2H3
InChIKeyNTUZKRHKMISLSE-UHFFFAOYSA-N
XLogP0.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-3-methyl-3,4-dihydropyrimidin-4-one
CID 70594970
3,3-Dimethylimidazol-3-ium-4-carboxamide
CID 87517663
1,1-Dimethylimidazol-1-ium-4-carboxamide
CID 118591323
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one
CID 121553550
5-Amino-6-[ethenyl(2-methylpropyl)amino]-3-methylpyrimidin-4-one
CID 134344733
5-Amino-3-propylpyrimidin-4-one;hydrochloride
CID 138585613
5-Amino-3-propylpyrimidin-4-one
CID 138585614
5-Amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 138585702
5-Amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one
CID 138601214
5-Amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;hydrochloride
CID 141659432
5-Amino-3-[2-(dimethylamino)ethyl]pyrimidin-4-one;ethane
CID 145427253
5-Amino-1-(3-methoxypropyl)pyrimidin-4-one
CID 115114221

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methylpropyl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(2-methylpropyl)pyrimidin-4-one (CID 115114452) is 5-amino-1-(2-methylpropyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(2-methylpropyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(2-methylpropyl)pyrimidin-4-one is CC(C)Cn1cnc(=O)c(N)c1.
What is the InChIKey of 5-amino-1-(2-methylpropyl)pyrimidin-4-one?
The InChIKey is NTUZKRHKMISLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)3-11-4-7(9)8(12)10-5-11/h4-6H,3,9H2,1-2H3.
What are the key properties of 5-amino-1-(2-methylpropyl)pyrimidin-4-one?
5-amino-1-(2-methylpropyl)pyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylpropyl)pyrimidin-4-one is sourced from PubChem (CID 115114452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).