1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one

C16H22N6O — CID 56699838

IUPAC1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1nc(N2CCN(C(=O)C(C)C)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C16H22N6O/c1-12(2)16(23)21-8-6-20(7-9-21)14-10-15(19-13(3)18-14)22-5-4-17-11-22/h4-5,10-12H,6-9H2,1-3H3
InChIKeyMRVUGRUBQFMPSK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.28
Rot. Bonds3

About 1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 56699838) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID56699838
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCc1nc(N2CCN(C(=O)C(C)C)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C16H22N6O/c1-12(2)16(23)21-8-6-20(7-9-21)14-10-15(19-13(3)18-14)22-5-4-17-11-22/h4-5,10-12H,6-9H2,1-3H3
InChIKeyMRVUGRUBQFMPSK-UHFFFAOYSA-N
XLogP1.28
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one (CID 56699838) is 1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one is Cc1nc(N2CCN(C(=O)C(C)C)CC2)cc(-n2ccnc2)n1.
What is the InChIKey of 1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is MRVUGRUBQFMPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12(2)16(23)21-8-6-20(7-9-21)14-10-15(19-13(3)18-14)22-5-4-17-11-22/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 314.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 56699838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).