5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one

C15H23ClN4O — CID 164641320

IUPAC5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC[C@]3(CCCN(C)C3)C2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C15H23ClN4O/c1-11-17-13(12(16)14(21)18-11)20-8-4-6-15(10-20)5-3-7-19(2)9-15/h3-10H2,1-2H3,(H,17,18,21)/t15-/m0/s1
InChIKeyXLPYWRDFPNAHJV-HNNXBMFYSA-N
MW310.83 g/mol
LogP2.04
Rot. Bonds1

About 5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one

5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one (PubChem CID 164641320) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one
PubChem CID164641320
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC[C@]3(CCCN(C)C3)C2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C15H23ClN4O/c1-11-17-13(12(16)14(21)18-11)20-8-4-6-15(10-20)5-3-7-19(2)9-15/h3-10H2,1-2H3,(H,17,18,21)/t15-/m0/s1
InChIKeyXLPYWRDFPNAHJV-HNNXBMFYSA-N
XLogP2.04
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one (CID 164641320) is 5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCC[C@]3(CCCN(C)C3)C2)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one?
The InChIKey is XLPYWRDFPNAHJV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-11-17-13(12(16)14(21)18-11)20-8-4-6-15(10-20)5-3-7-19(2)9-15/h3-10H2,1-2H3,(H,17,18,21)/t15-/m0/s1.
What are the key properties of 5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one?
5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one has a molecular weight of 310.83 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 164641320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).