6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione

C9H11N5O3 — CID 19597542

IUPAC6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione
SMILESCc1cnc(=O)[nH]c1N.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H7N3O.C4H4N2O2/c1-3-2-7-5(9)8-4(3)6;7-3-1-2-5-4(8)6-3/h2H,1H3,(H3,6,7,8,9);1-2H,(H2,5,6,7,8)
InChIKeyOWCGYGKWHXMMBD-UHFFFAOYSA-N
MW237.22 g/mol
LogP-1.28
Rot. Bonds

About 6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione

6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione (PubChem CID 19597542) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione
PubChem CID19597542
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione
SMILESCc1cnc(=O)[nH]c1N.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H7N3O.C4H4N2O2/c1-3-2-7-5(9)8-4(3)6;7-3-1-2-5-4(8)6-3/h2H,1H3,(H3,6,7,8,9);1-2H,(H2,5,6,7,8)
InChIKeyOWCGYGKWHXMMBD-UHFFFAOYSA-N
XLogP-1.28
TPSA137.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione (CID 19597542) is 6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione is Cc1cnc(=O)[nH]c1N.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione?
The InChIKey is OWCGYGKWHXMMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C4H4N2O2/c1-3-2-7-5(9)8-4(3)6;7-3-1-2-5-4(8)6-3/h2H,1H3,(H3,6,7,8,9);1-2H,(H2,5,6,7,8).
What are the key properties of 6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione?
6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione has a molecular weight of 237.22 g/mol, XLogP of -1.28, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-1H-pyrimidin-2-one;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 19597542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).