(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C12H18N4O3S — CID 74233443

IUPAC(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCc1ncc(C(=O)N2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C12H18N4O3S/c1-3-11-13-8-10(9-14-11)12(17)15-4-6-16(7-5-15)20(2,18)19/h8-9H,3-7H2,1-2H3
InChIKeyRYOBAORGGMQSNN-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.24
Rot. Bonds3

About (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 74233443) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID74233443
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCc1ncc(C(=O)N2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C12H18N4O3S/c1-3-11-13-8-10(9-14-11)12(17)15-4-6-16(7-5-15)20(2,18)19/h8-9H,3-7H2,1-2H3
InChIKeyRYOBAORGGMQSNN-UHFFFAOYSA-N
XLogP-0.24
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4aS*,7aR*)-1-[(2-methyl-5-pyrimidinyl)carbonyl]-4-propyloctahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70755172
2-Ethyl-5-{[3-(1-piperidinyl)-1-azetidinyl]carbonyl}pyrimidine
CID 72857165
2-ethyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-5-pyrimidinecarboxamide
CID 72876341
2-ethyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-5-pyrimidinecarboxamide
CID 72918635
1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 777743
Tert-butyl 4-(2-chloropyrimidine-5-carbonyl)piperazine-1-carboxylate
CID 145912953
N-allyl-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 50953378
2-isopropyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}pyrimidine-5-carboxamide
CID 74232485
2-Cyclopropyl-5-{[4-(3-methoxypropyl)piperazin-1-yl]carbonyl}pyrimidine
CID 74245329
4-[(2-Isopropylpyrimidin-5-yl)carbonyl]thiomorpholine 1,1-dioxide
CID 74246919
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 97939257
2-methyl-N-[1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-N-[3-(pyrrolidin-1-yl)propyl]propanamide
CID 164634307

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 74233443) is (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CCc1ncc(C(=O)N2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is RYOBAORGGMQSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-3-11-13-8-10(9-14-11)12(17)15-4-6-16(7-5-15)20(2,18)19/h8-9H,3-7H2,1-2H3.
What are the key properties of (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 298.37 g/mol, XLogP of -0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 74233443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).