4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile

C10H14N6O — CID 135444495

IUPAC4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile
SMILESCc1nc(N)c(N2CCN(C#N)CC2)c(=O)[nH]1
InChIInChI=1S/C10H14N6O/c1-7-13-9(12)8(10(17)14-7)16-4-2-15(6-11)3-5-16/h2-5H2,1H3,(H3,12,13,14,17)
InChIKeyFSYADPJPWSPUSD-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.74
Rot. Bonds1

About 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile

4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile (PubChem CID 135444495) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile.

Molecular Properties

Compound Name4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile
PubChem CID135444495
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile
SMILESCc1nc(N)c(N2CCN(C#N)CC2)c(=O)[nH]1
InChIInChI=1S/C10H14N6O/c1-7-13-9(12)8(10(17)14-7)16-4-2-15(6-11)3-5-16/h2-5H2,1H3,(H3,12,13,14,17)
InChIKeyFSYADPJPWSPUSD-UHFFFAOYSA-N
XLogP-0.74
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile?
The IUPAC name of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile (CID 135444495) is 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile.
What is the SMILES notation for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile?
The canonical SMILES for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile is Cc1nc(N)c(N2CCN(C#N)CC2)c(=O)[nH]1.
What is the InChIKey of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile?
The InChIKey is FSYADPJPWSPUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-7-13-9(12)8(10(17)14-7)16-4-2-15(6-11)3-5-16/h2-5H2,1H3,(H3,12,13,14,17).
What are the key properties of 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile?
4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methyl-6-oxo-1H-pyrimidin-5-yl)piperazine-1-carbonitrile is sourced from PubChem (CID 135444495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).