2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one

C12H18ClN3O — CID 117260590

IUPAC2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)N1CCC(c2cnc(Cl)[nH]c2=O)CC1
InChIInChI=1S/C12H18ClN3O/c1-8(2)16-5-3-9(4-6-16)10-7-14-12(13)15-11(10)17/h7-9H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyFUXSKKZACUBDAT-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.01
Rot. Bonds2

About 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one

2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one (PubChem CID 117260590) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one
PubChem CID117260590
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)N1CCC(c2cnc(Cl)[nH]c2=O)CC1
InChIInChI=1S/C12H18ClN3O/c1-8(2)16-5-3-9(4-6-16)10-7-14-12(13)15-11(10)17/h7-9H,3-6H2,1-2H3,(H,14,15,17)
InChIKeyFUXSKKZACUBDAT-UHFFFAOYSA-N
XLogP2.01
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one (CID 117260590) is 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one is CC(C)N1CCC(c2cnc(Cl)[nH]c2=O)CC1.
What is the InChIKey of 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is FUXSKKZACUBDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(2)16-5-3-9(4-6-16)10-7-14-12(13)15-11(10)17/h7-9H,3-6H2,1-2H3,(H,14,15,17).
What are the key properties of 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one?
2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 255.75 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 117260590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).