4-amino-4-deuterio-1,3-dihydropyrimidin-2-one

C4H7N3O — CID 175817725

IUPAC4-amino-4-deuterio-1,3-dihydropyrimidin-2-one
SMILES[2H]C1(N)C=CNC(=O)N1
InChIInChI=1S/C4H7N3O/c5-3-1-2-6-4(8)7-3/h1-3H,5H2,(H2,6,7,8)/i3D
InChIKeyVHCGYVGVWSLOHQ-WFVSFCRTSA-N
MW114.13 g/mol
LogP-0.90
Rot. Bonds

About 4-amino-4-deuterio-1,3-dihydropyrimidin-2-one

4-amino-4-deuterio-1,3-dihydropyrimidin-2-one (PubChem CID 175817725) has the molecular formula C4H7N3O and a molecular weight of 114.13 g/mol. Its IUPAC name is 4-amino-4-deuterio-1,3-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-4-deuterio-1,3-dihydropyrimidin-2-one
PubChem CID175817725
Molecular FormulaC4H7N3O
Molecular Weight114.13 g/mol
Exact Mass114.07
IUPAC Name4-amino-4-deuterio-1,3-dihydropyrimidin-2-one
SMILES[2H]C1(N)C=CNC(=O)N1
InChIInChI=1S/C4H7N3O/c5-3-1-2-6-4(8)7-3/h1-3H,5H2,(H2,6,7,8)/i3D
InChIKeyVHCGYVGVWSLOHQ-WFVSFCRTSA-N
XLogP-0.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.13
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Di-2-propen-1-ylurea
CID 74537
4-amino-5-fluoro-3,4-dihydropyrimidin-2(1H)-one
CID 3279834
4-Fluorocytosine
CID 69975567
1,3-Dimethylcytosine
CID 15895115
Fluorodihydrocytosine
CID 129762347
Dihydrocytosine
CID 435182
6,8a-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
CID 6857433
3,4-dihydro-1H-pyrimidin-2-one
CID 11962267
3,4-Di-hydro-4-methyl-2(1H)-pyrimidinon
CID 14689526
4-Amino-4-methyl-3,4-dihydropyrimidin-2(1H)-one
CID 22987932
N-methyldihydro-2-pyrimidinone
CID 23121765
4-Amino-3-methyl-1,4-dihydropyrimidin-2-one
CID 55289347

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-deuterio-1,3-dihydropyrimidin-2-one?
The IUPAC name of 4-amino-4-deuterio-1,3-dihydropyrimidin-2-one (CID 175817725) is 4-amino-4-deuterio-1,3-dihydropyrimidin-2-one.
What is the SMILES notation for 4-amino-4-deuterio-1,3-dihydropyrimidin-2-one?
The canonical SMILES for 4-amino-4-deuterio-1,3-dihydropyrimidin-2-one is [2H]C1(N)C=CNC(=O)N1.
What is the InChIKey of 4-amino-4-deuterio-1,3-dihydropyrimidin-2-one?
The InChIKey is VHCGYVGVWSLOHQ-WFVSFCRTSA-N. The full InChI is InChI=1S/C4H7N3O/c5-3-1-2-6-4(8)7-3/h1-3H,5H2,(H2,6,7,8)/i3D.
What are the key properties of 4-amino-4-deuterio-1,3-dihydropyrimidin-2-one?
4-amino-4-deuterio-1,3-dihydropyrimidin-2-one has a molecular weight of 114.13 g/mol, XLogP of -0.90, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-deuterio-1,3-dihydropyrimidin-2-one is sourced from PubChem (CID 175817725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).