[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

C14H23N5O3S — CID 72938893

IUPAC[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cn1
InChIInChI=1S/C14H23N5O3S/c1-3-15-14-16-10-12(11-17-14)13(20)19-6-4-18(5-7-19)8-9-23(2,21)22/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyJOHGSGMFVRDPTA-UHFFFAOYSA-N
MW341.44 g/mol
LogP-0.29
Rot. Bonds6

About [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (PubChem CID 72938893) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
PubChem CID72938893
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cn1
InChIInChI=1S/C14H23N5O3S/c1-3-15-14-16-10-12(11-17-14)13(20)19-6-4-18(5-7-19)8-9-23(2,21)22/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyJOHGSGMFVRDPTA-UHFFFAOYSA-N
XLogP-0.29
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 56534024
(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94063036
(4-methylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94448657
(4-methylpiperazin-1-yl)-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109253173
(3-bromophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753438
[2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 72880906
[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109253999
[2-(ethylamino)pyrimidin-5-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70787566
9-[2-(ethylamino)pyrimidine-5-carbonyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56739068
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109252034
(2-iodophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753470
(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109254005

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (CID 72938893) is [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is CCNc1ncc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The InChIKey is JOHGSGMFVRDPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-3-15-14-16-10-12(11-17-14)13(20)19-6-4-18(5-7-19)8-9-23(2,21)22/h10-11H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone has a molecular weight of 341.44 g/mol, XLogP of -0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 72938893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).