3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one

C19H25FN6O3 — CID 154830644

IUPAC3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCN(c3nc(C(C)C)c(F)c(=O)[nH]3)CC2)c(=O)c1C
InChIInChI=1S/C19H25FN6O3/c1-11(2)16-15(20)17(28)23-19(22-16)25-7-5-24(6-8-25)14(27)9-26-10-21-13(4)12(3)18(26)29/h10-11H,5-9H2,1-4H3,(H,22,23,28)
InChIKeyIRKUIJXYNVTLNK-UHFFFAOYSA-N
MW404.45 g/mol
LogP0.55
Rot. Bonds4

About 3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one

3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 154830644) has the molecular formula C19H25FN6O3 and a molecular weight of 404.45 g/mol. Its IUPAC name is 3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
PubChem CID154830644
Molecular FormulaC19H25FN6O3
Molecular Weight404.45 g/mol
Exact Mass404.20
IUPAC Name3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCN(c3nc(C(C)C)c(F)c(=O)[nH]3)CC2)c(=O)c1C
InChIInChI=1S/C19H25FN6O3/c1-11(2)16-15(20)17(28)23-19(22-16)25-7-5-24(6-8-25)14(27)9-26-10-21-13(4)12(3)18(26)29/h10-11H,5-9H2,1-4H3,(H,22,23,28)
InChIKeyIRKUIJXYNVTLNK-UHFFFAOYSA-N
XLogP0.55
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one (CID 154830644) is 3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC(=O)N2CCN(c3nc(C(C)C)c(F)c(=O)[nH]3)CC2)c(=O)c1C.
What is the InChIKey of 3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is IRKUIJXYNVTLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O3/c1-11(2)16-15(20)17(28)23-19(22-16)25-7-5-24(6-8-25)14(27)9-26-10-21-13(4)12(3)18(26)29/h10-11H,5-9H2,1-4H3,(H,22,23,28).
What are the key properties of 3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 404.45 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(5-fluoro-6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 154830644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).