(5R)-5-amino-1H-pyrimidine-4,6-dione

C4H5N3O2 — CID 98071290

IUPAC(5R)-5-amino-1H-pyrimidine-4,6-dione
SMILESN[C@H]1C(=O)N=CNC1=O
InChIInChI=1S/C4H5N3O2/c5-2-3(8)6-1-7-4(2)9/h1-2H,5H2,(H,6,7,8,9)
InChIKeyNVAMGZHAYTZQBT-UHFFFAOYSA-N
MW127.10 g/mol
LogP-2.00
Rot. Bonds

About (5R)-5-amino-1H-pyrimidine-4,6-dione

(5R)-5-amino-1H-pyrimidine-4,6-dione (PubChem CID 98071290) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is (5R)-5-amino-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name(5R)-5-amino-1H-pyrimidine-4,6-dione
PubChem CID98071290
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name(5R)-5-amino-1H-pyrimidine-4,6-dione
SMILESN[C@H]1C(=O)N=CNC1=O
InChIInChI=1S/C4H5N3O2/c5-2-3(8)6-1-7-4(2)9/h1-2H,5H2,(H,6,7,8,9)
InChIKeyNVAMGZHAYTZQBT-UHFFFAOYSA-N
XLogP-2.00
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-bromo-1H-pyrimidine-4,6-dione
CID 86310273
6-methyl-4a,5-dihydro-3H-quinazolin-4-one
CID 137158643
4-aminopyrazolidine-3,5-dione
CID 82647065
(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one
CID 642676
(3S,4S)-3-amino-4-hydroxypyrrolidin-2-one
CID 15484376
3-amino-4-sulfonyl-1H-pyridin-2-one
CID 91380835
(3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride
CID 170170449
6-bromo-3,4a-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 170903679
(3S,4R)-3,4-diaminopyrrolidin-2-one
CID 55291509
(3R)-3-amino-1,3-dihydropyrrol-2-one
CID 154264862
8-iodo-1,5-dihydropurin-6-one
CID 135747550
4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137229679

Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-1H-pyrimidine-4,6-dione?
The IUPAC name of (5R)-5-amino-1H-pyrimidine-4,6-dione (CID 98071290) is (5R)-5-amino-1H-pyrimidine-4,6-dione.
What is the SMILES notation for (5R)-5-amino-1H-pyrimidine-4,6-dione?
The canonical SMILES for (5R)-5-amino-1H-pyrimidine-4,6-dione is N[C@H]1C(=O)N=CNC1=O.
What is the InChIKey of (5R)-5-amino-1H-pyrimidine-4,6-dione?
The InChIKey is NVAMGZHAYTZQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-2-3(8)6-1-7-4(2)9/h1-2H,5H2,(H,6,7,8,9).
What are the key properties of (5R)-5-amino-1H-pyrimidine-4,6-dione?
(5R)-5-amino-1H-pyrimidine-4,6-dione has a molecular weight of 127.10 g/mol, XLogP of -2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 98071290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).