(5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone

C12H17ClN4OS — CID 6463586

IUPAC(5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2nc(SC)ncc2Cl)CC1
InChIInChI=1S/C12H17ClN4OS/c1-3-16-4-6-17(7-5-16)11(18)10-9(13)8-14-12(15-10)19-2/h8H,3-7H2,1-2H3
InChIKeyURYVUJJAHPKBIB-UHFFFAOYSA-N
MW300.81 g/mol
LogP1.63
Rot. Bonds3

About (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone

(5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 6463586) has the molecular formula C12H17ClN4OS and a molecular weight of 300.81 g/mol. Its IUPAC name is (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID6463586
Molecular FormulaC12H17ClN4OS
Molecular Weight300.81 g/mol
Exact Mass300.08
IUPAC Name(5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2nc(SC)ncc2Cl)CC1
InChIInChI=1S/C12H17ClN4OS/c1-3-16-4-6-17(7-5-16)11(18)10-9(13)8-14-12(15-10)19-2/h8H,3-7H2,1-2H3
InChIKeyURYVUJJAHPKBIB-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 43047382
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 62086699
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79409987
ethyl 1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 19154736
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371144
4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazin-2-one
CID 30887321
(5-chloro-2-ethylsulfanylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 19245711
(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 114921648
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 46552669
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62467198
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3770108
2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-methylamino]acetic acid
CID 43356366

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone (CID 6463586) is (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2nc(SC)ncc2Cl)CC1.
What is the InChIKey of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is URYVUJJAHPKBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4OS/c1-3-16-4-6-17(7-5-16)11(18)10-9(13)8-14-12(15-10)19-2/h8H,3-7H2,1-2H3.
What are the key properties of (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone?
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 300.81 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 6463586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).