2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

C10H14Cl2N4S — CID 106326689

IUPAC2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESClc1ncc(Cl)c(NCCN2CCSCC2)n1
InChIInChI=1S/C10H14Cl2N4S/c11-8-7-14-10(12)15-9(8)13-1-2-16-3-5-17-6-4-16/h7H,1-6H2,(H,13,14,15)
InChIKeyGWEWTADSAHCOHZ-UHFFFAOYSA-N
MW293.22 g/mol
LogP2.24
Rot. Bonds4

About 2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 106326689) has the molecular formula C10H14Cl2N4S and a molecular weight of 293.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID106326689
Molecular FormulaC10H14Cl2N4S
Molecular Weight293.22 g/mol
Exact Mass292.03
IUPAC Name2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESClc1ncc(Cl)c(NCCN2CCSCC2)n1
InChIInChI=1S/C10H14Cl2N4S/c11-8-7-14-10(12)15-9(8)13-1-2-16-3-5-17-6-4-16/h7H,1-6H2,(H,13,14,15)
InChIKeyGWEWTADSAHCOHZ-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Chloro-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 86277751
N,N'-bis(5-chloropyrimidin-4-yl)propane-1,3-diamine
CID 86804849
5-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrimidin-4-amine
CID 135114129
5-Chloro-2-(piperazin-1-YL)pyrimidine
CID 15684303
2,5-dichloro-N-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyrimidin-4-amine
CID 118464448
2,5-dichloro-N-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]pyrimidin-4-amine
CID 118464537
2,5-dichloro-N-[1-(2-fluoroethyl)piperidin-3-yl]pyrimidin-4-amine
CID 155072819
2-Chloro-5-fluoro-4-(piperazin-1-YL)pyrimidine
CID 53393355
4-(2-Chloro-5-fluoro-4-pyrimidinyl)thiomorpholine
CID 79080416
5-Fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80764069
5-fluoro-N-methyl-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80764346
5-fluoro-N-propyl-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80764347

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (CID 106326689) is 2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is Clc1ncc(Cl)c(NCCN2CCSCC2)n1.
What is the InChIKey of 2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is GWEWTADSAHCOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4S/c11-8-7-14-10(12)15-9(8)13-1-2-16-3-5-17-6-4-16/h7H,1-6H2,(H,13,14,15).
What are the key properties of 2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 293.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 106326689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).