2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one

C16H23FN4O2 — CID 154830597

IUPAC2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C(=O)CC3CC3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C16H23FN4O2/c1-10(2)14-13(17)15(23)19-16(18-14)21-7-5-20(6-8-21)12(22)9-11-3-4-11/h10-11H,3-9H2,1-2H3,(H,18,19,23)
InChIKeyYNFOQHYYPXSJHF-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.48
Rot. Bonds4

About 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one

2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 154830597) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID154830597
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C(=O)CC3CC3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C16H23FN4O2/c1-10(2)14-13(17)15(23)19-16(18-14)21-7-5-20(6-8-21)12(22)9-11-3-4-11/h10-11H,3-9H2,1-2H3,(H,18,19,23)
InChIKeyYNFOQHYYPXSJHF-UHFFFAOYSA-N
XLogP1.48
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one (CID 154830597) is 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCN(C(=O)CC3CC3)CC2)[nH]c(=O)c1F.
What is the InChIKey of 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YNFOQHYYPXSJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-10(2)14-13(17)15(23)19-16(18-14)21-7-5-20(6-8-21)12(22)9-11-3-4-11/h10-11H,3-9H2,1-2H3,(H,18,19,23).
What are the key properties of 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one?
2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 322.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 154830597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).