(5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone

C11H15ClN4O — CID 124614011

IUPAC(5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ncncc2Cl)C[C@H](C)N1
InChIInChI=1S/C11H15ClN4O/c1-7-4-16(5-8(2)15-7)11(17)10-9(12)3-13-6-14-10/h3,6-8,15H,4-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyUZKLVKWLXRZIEM-YUMQZZPRSA-N
MW254.72 g/mol
LogP0.95
Rot. Bonds1

About (5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone

(5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone (PubChem CID 124614011) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is (5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone
PubChem CID124614011
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name(5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ncncc2Cl)C[C@H](C)N1
InChIInChI=1S/C11H15ClN4O/c1-7-4-16(5-8(2)15-7)11(17)10-9(12)3-13-6-14-10/h3,6-8,15H,4-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyUZKLVKWLXRZIEM-YUMQZZPRSA-N
XLogP0.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 136515626
2-azabicyclo[2.2.1]heptan-2-yl-(5-chloropyrimidin-4-yl)methanone
CID 71862000
(5-chloropyrimidin-4-yl)-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]piperidin-1-yl]methanone
CID 97333073
(5-chloropyrimidin-4-yl)-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]methanone
CID 97053913
(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119564341
(2-chloro-5-methylsulfanylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872143
(5-chloropyrimidin-4-yl)-[(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidin-1-yl]methanone
CID 97236274
(5-bromo-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63873857
(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 141132994
(5-chloropyrimidin-4-yl)-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]methanone
CID 124610868
[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 144544678
(2-chloro-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63863883

Frequently Asked Questions

What is the IUPAC name of (5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone?
The IUPAC name of (5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone (CID 124614011) is (5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for (5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone is C[C@H]1CN(C(=O)c2ncncc2Cl)C[C@H](C)N1.
What is the InChIKey of (5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone?
The InChIKey is UZKLVKWLXRZIEM-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-7-4-16(5-8(2)15-7)11(17)10-9(12)3-13-6-14-10/h3,6-8,15H,4-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone?
(5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone has a molecular weight of 254.72 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrimidin-4-yl)-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 124614011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).