[2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone

C11H16N4OS — CID 72939360

IUPAC[2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone
SMILESCCNc1ncc(C(=O)N2CCSCC2)cn1
InChIInChI=1S/C11H16N4OS/c1-2-12-11-13-7-9(8-14-11)10(16)15-3-5-17-6-4-15/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyZUSITFPGMRUACC-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.10
Rot. Bonds3

About [2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone

[2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone (PubChem CID 72939360) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone
PubChem CID72939360
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone
SMILESCCNc1ncc(C(=O)N2CCSCC2)cn1
InChIInChI=1S/C11H16N4OS/c1-2-12-11-13-7-9(8-14-11)10(16)15-3-5-17-6-4-15/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyZUSITFPGMRUACC-UHFFFAOYSA-N
XLogP1.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Piperidinyl[2-[(5-pyrimidinylmethyl)amino]-5-pyrimidinyl]methanone
CID 139580345
N-Propyl-2-(pyrrolidin-1-YL)pyrimidine-5-carboxamide
CID 6625249
2-(ethylamino)-N-(tetrahydro-3-thienyl)-5-pyrimidinecarboxamide
CID 72932963
7-(Ethylthio)pyrimido[4,5-d]pyrimidin-4(3H)-one
CID 135424359
N-ethyl-5-{[4-(4-methoxybutyl)-1-piperazinyl]carbonyl}-2-pyrimidinamine
CID 72846032
N-ethyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959348
2-ethyl-N-[2-(isobutylsulfonyl)ethyl]-5-pyrimidinecarboxamide
CID 72879630
4-[(2-Isopropylpyrimidin-5-yl)carbonyl]thiomorpholine 1,1-dioxide
CID 74246919
N-[2-(butylamino)-2-oxoethyl]-2-(ethylamino)-N-methylpyrimidine-5-carboxamide
CID 74248529
N-(1-methylpyrrolidin-3-yl)-2-(methylthio)pyrimidine-5-carboxamide
CID 91779180
N-{1-[2-(Dimethylamino)ethyl]piperidin-4-YL}-2-(methylamino)pyrimidine-5-carboxamide
CID 118784620
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]pyrimidine-5-carboxamide
CID 164641163

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone (CID 72939360) is [2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone is CCNc1ncc(C(=O)N2CCSCC2)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is ZUSITFPGMRUACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-2-12-11-13-7-9(8-14-11)10(16)15-3-5-17-6-4-15/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone?
[2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 252.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)pyrimidin-5-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 72939360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).