4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

C20H23N7O — CID 137273768

IUPAC4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nccc(N2CCN(c3ccc(-c4nc(C)c(C)c(=O)[nH]4)cn3)CC2)n1
InChIInChI=1S/C20H23N7O/c1-13-14(2)23-19(25-20(13)28)16-4-5-17(22-12-16)26-8-10-27(11-9-26)18-6-7-21-15(3)24-18/h4-7,12H,8-11H2,1-3H3,(H,23,25,28)
InChIKeyKZUVORBRZFCSNU-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.87
Rot. Bonds3

About 4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137273768) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137273768
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nccc(N2CCN(c3ccc(-c4nc(C)c(C)c(=O)[nH]4)cn3)CC2)n1
InChIInChI=1S/C20H23N7O/c1-13-14(2)23-19(25-20(13)28)16-4-5-17(22-12-16)26-8-10-27(11-9-26)18-6-7-21-15(3)24-18/h4-7,12H,8-11H2,1-3H3,(H,23,25,28)
InChIKeyKZUVORBRZFCSNU-UHFFFAOYSA-N
XLogP1.87
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137273768) is 4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is Cc1nccc(N2CCN(c3ccc(-c4nc(C)c(C)c(=O)[nH]4)cn3)CC2)n1.
What is the InChIKey of 4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is KZUVORBRZFCSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-13-14(2)23-19(25-20(13)28)16-4-5-17(22-12-16)26-8-10-27(11-9-26)18-6-7-21-15(3)24-18/h4-7,12H,8-11H2,1-3H3,(H,23,25,28).
What are the key properties of 4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 377.45 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137273768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).