4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one

C10H12N4O2 — CID 125180340

IUPAC4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one
SMILESCc1noc(C)c1Cn1ccc(N)nc1=O
InChIInChI=1S/C10H12N4O2/c1-6-8(7(2)16-13-6)5-14-4-3-9(11)12-10(14)15/h3-4H,5H2,1-2H3,(H2,11,12,15)
InChIKeyJBLCAPAGOLGLES-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.48
Rot. Bonds2

About 4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one

4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one (PubChem CID 125180340) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one
PubChem CID125180340
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one
SMILESCc1noc(C)c1Cn1ccc(N)nc1=O
InChIInChI=1S/C10H12N4O2/c1-6-8(7(2)16-13-6)5-14-4-3-9(11)12-10(14)15/h3-4H,5H2,1-2H3,(H2,11,12,15)
InChIKeyJBLCAPAGOLGLES-UHFFFAOYSA-N
XLogP0.48
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one
CID 99839786
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one
CID 115679422
4-amino-1-[[4-[(4-methyltriazol-1-yl)methyl]phenyl]methyl]pyrimidin-2-one
CID 164667818
(E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-2-yl]prop-2-enoic acid
CID 39150689
4-amino-1-methylpyrimidin-2-one;hydrobromide
CID 91983314
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide
CID 118414266
4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one
CID 69107893
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione
CID 121224616
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222891
4-amino-1-methylpyrimidin-2-one;propane
CID 143278150
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 7570115
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one (CID 125180340) is 4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one is Cc1noc(C)c1Cn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one?
The InChIKey is JBLCAPAGOLGLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-8(7(2)16-13-6)5-14-4-3-9(11)12-10(14)15/h3-4H,5H2,1-2H3,(H2,11,12,15).
What are the key properties of 4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one?
4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 125180340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).