2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one

C16H22N6O2 — CID 596768

IUPAC2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one
SMILESCc1cnc(N2CCN(c3ncc(C)c(=O)n3C)CC2)n(C)c1=O
InChIInChI=1S/C16H22N6O2/c1-11-9-17-15(19(3)13(11)23)21-5-7-22(8-6-21)16-18-10-12(2)14(24)20(16)4/h9-10H,5-8H2,1-4H3
InChIKeyAQCDOKYLHCBDFO-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.18
Rot. Bonds2

About 2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one

2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one (PubChem CID 596768) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one
PubChem CID596768
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one
SMILESCc1cnc(N2CCN(c3ncc(C)c(=O)n3C)CC2)n(C)c1=O
InChIInChI=1S/C16H22N6O2/c1-11-9-17-15(19(3)13(11)23)21-5-7-22(8-6-21)16-18-10-12(2)14(24)20(16)4/h9-10H,5-8H2,1-4H3
InChIKeyAQCDOKYLHCBDFO-UHFFFAOYSA-N
XLogP-0.18
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one?
The IUPAC name of 2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one (CID 596768) is 2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one?
The canonical SMILES for 2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one is Cc1cnc(N2CCN(c3ncc(C)c(=O)n3C)CC2)n(C)c1=O.
What is the InChIKey of 2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one?
The InChIKey is AQCDOKYLHCBDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11-9-17-15(19(3)13(11)23)21-5-7-22(8-6-21)16-18-10-12(2)14(24)20(16)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one?
2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one has a molecular weight of 330.39 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,5-dimethyl-6-oxopyrimidin-2-yl)piperazin-1-yl]-3,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 596768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).