6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine

C10H16ClN5S — CID 106324872

IUPAC6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCCN1CCSCC1
InChIInChI=1S/C10H16ClN5S/c11-9-8(12)10(15-7-14-9)13-1-2-16-3-5-17-6-4-16/h7H,1-6,12H2,(H,13,14,15)
InChIKeyYYFSOMFLHFGINH-UHFFFAOYSA-N
MW273.79 g/mol
LogP1.17
Rot. Bonds4

About 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine

6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine (PubChem CID 106324872) has the molecular formula C10H16ClN5S and a molecular weight of 273.79 g/mol. Its IUPAC name is 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine
PubChem CID106324872
Molecular FormulaC10H16ClN5S
Molecular Weight273.79 g/mol
Exact Mass273.08
IUPAC Name6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCCN1CCSCC1
InChIInChI=1S/C10H16ClN5S/c11-9-8(12)10(15-7-14-9)13-1-2-16-3-5-17-6-4-16/h7H,1-6,12H2,(H,13,14,15)
InChIKeyYYFSOMFLHFGINH-UHFFFAOYSA-N
XLogP1.17
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrimidine-4,5-diamine
CID 63024118
6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 114173942
5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327548
3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile
CID 114173737
2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106326689
6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327655
3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 114173719
5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327571
6-chloro-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 80681526
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
4-N-(2-morpholin-4-ylethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154001
5-chloro-2-N-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327636

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine (CID 106324872) is 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine is Nc1c(Cl)ncnc1NCCN1CCSCC1.
What is the InChIKey of 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is YYFSOMFLHFGINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5S/c11-9-8(12)10(15-7-14-9)13-1-2-16-3-5-17-6-4-16/h7H,1-6,12H2,(H,13,14,15).
What are the key properties of 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 273.79 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 106324872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).