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

C15H21FN4O2 — CID 154830590

IUPAC2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C(=O)C3CC3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C15H21FN4O2/c1-9(2)12-11(16)13(21)18-15(17-12)20-7-5-19(6-8-20)14(22)10-3-4-10/h9-10H,3-8H2,1-2H3,(H,17,18,21)
InChIKeyDNDDHUGUPAPLEN-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.09
Rot. Bonds3

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

2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 154830590) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID154830590
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C(=O)C3CC3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C15H21FN4O2/c1-9(2)12-11(16)13(21)18-15(17-12)20-7-5-19(6-8-20)14(22)10-3-4-10/h9-10H,3-8H2,1-2H3,(H,17,18,21)
InChIKeyDNDDHUGUPAPLEN-UHFFFAOYSA-N
XLogP1.09
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one (CID 154830590) is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCN(C(=O)C3CC3)CC2)[nH]c(=O)c1F.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is DNDDHUGUPAPLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-9(2)12-11(16)13(21)18-15(17-12)20-7-5-19(6-8-20)14(22)10-3-4-10/h9-10H,3-8H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one?
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 308.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-fluoro-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 154830590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).