(2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone

C15H22N4O2S — CID 91775872

IUPAC(2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCSc1ncc(C(=O)N2CCN(C3CCOCC3)CC2)cn1
InChIInChI=1S/C15H22N4O2S/c1-22-15-16-10-12(11-17-15)14(20)19-6-4-18(5-7-19)13-2-8-21-9-3-13/h10-11,13H,2-9H2,1H3
InChIKeyJPGNETWDQKBRTO-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.14
Rot. Bonds3

About (2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone

(2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone (PubChem CID 91775872) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is (2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
PubChem CID91775872
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name(2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
SMILESCSc1ncc(C(=O)N2CCN(C3CCOCC3)CC2)cn1
InChIInChI=1S/C15H22N4O2S/c1-22-15-16-10-12(11-17-15)14(20)19-6-4-18(5-7-19)13-2-8-21-9-3-13/h10-11,13H,2-9H2,1H3
InChIKeyJPGNETWDQKBRTO-UHFFFAOYSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one
CID 91796344
(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 131931854
[(4R)-4-tert-butylazepan-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 125169236
1-(6-aminopyridine-3-carbonyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxylic acid
CID 86284034
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064
[6-(cyclopropylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742496
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 155918282
[4-(oxan-4-yl)piperazin-1-yl]-[4-(pyridin-2-ylsulfanylmethyl)phenyl]methanone
CID 131913034
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
4-[[4-[2-[5-[4-(oxan-4-yl)piperazine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 58073468
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56739291
(2-aminophenyl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 119947314

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone (CID 91775872) is (2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone is CSc1ncc(C(=O)N2CCN(C3CCOCC3)CC2)cn1.
What is the InChIKey of (2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
The InChIKey is JPGNETWDQKBRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-22-15-16-10-12(11-17-15)14(20)19-6-4-18(5-7-19)13-2-8-21-9-3-13/h10-11,13H,2-9H2,1H3.
What are the key properties of (2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone?
(2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone has a molecular weight of 322.43 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91775872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).