4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one

C9H12N6O2 — CID 67117221

IUPAC4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one
SMILESCn1ccc(N)nc1=O.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C5H7N3O.C4H5N3O/c1-8-3-2-4(6)7-5(8)9;5-3-1-2-6-4(8)7-3/h2-3H,1H3,(H2,6,7,9);1-2H,(H3,5,6,7,8)
InChIKeySICSRMGLGSTNNH-UHFFFAOYSA-N
MW236.24 g/mol
LogP-1.29
Rot. Bonds

About 4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one

4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one (PubChem CID 67117221) has the molecular formula C9H12N6O2 and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one
PubChem CID67117221
Molecular FormulaC9H12N6O2
Molecular Weight236.24 g/mol
Exact Mass236.10
IUPAC Name4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one
SMILESCn1ccc(N)nc1=O.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C5H7N3O.C4H5N3O/c1-8-3-2-4(6)7-5(8)9;5-3-1-2-6-4(8)7-3/h2-3H,1H3,(H2,6,7,9);1-2H,(H3,5,6,7,8)
InChIKeySICSRMGLGSTNNH-UHFFFAOYSA-N
XLogP-1.29
TPSA132.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one (CID 67117221) is 4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one is Cn1ccc(N)nc1=O.Nc1ccnc(=O)[nH]1.
What is the InChIKey of 4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one?
The InChIKey is SICSRMGLGSTNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C4H5N3O/c1-8-3-2-4(6)7-5(8)9;5-3-1-2-6-4(8)7-3/h2-3H,1H3,(H2,6,7,9);1-2H,(H3,5,6,7,8).
What are the key properties of 4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one?
4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one has a molecular weight of 236.24 g/mol, XLogP of -1.29, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrimidin-2-one;6-amino-1H-pyrimidin-2-one is sourced from PubChem (CID 67117221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).