2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine

C10H17N5OS — CID 864592

IUPAC2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCN2CCOCC2)n1
InChIInChI=1S/C10H17N5OS/c11-8-7-9(12)14-10(13-8)17-6-3-15-1-4-16-5-2-15/h7H,1-6H2,(H4,11,12,13,14)
InChIKeyVRAUDKLOCCTHSW-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.07
Rot. Bonds4

About 2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine

2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 864592) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID864592
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCCN2CCOCC2)n1
InChIInChI=1S/C10H17N5OS/c11-8-7-9(12)14-10(13-8)17-6-3-15-1-4-16-5-2-15/h7H,1-6H2,(H4,11,12,13,14)
InChIKeyVRAUDKLOCCTHSW-UHFFFAOYSA-N
XLogP0.07
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine
CID 75392958
6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine
CID 82892090
2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
CID 79148751
6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole
CID 9350477
4-[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 35052035
[3-(2-morpholin-4-ylethylsulfanyl)phenyl]methanamine
CID 66355170
3-(2-morpholin-4-ylethylsulfanyl)phenol
CID 104590753
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
4-[2-(9H-[1,2,4]triazino[6,5-b]indol-3-ylsulfanyl)ethyl]morpholine
CID 6413888
[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63315585
4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine
CID 22695472
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55479308

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine (CID 864592) is 2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCCN2CCOCC2)n1.
What is the InChIKey of 2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is VRAUDKLOCCTHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c11-8-7-9(12)14-10(13-8)17-6-3-15-1-4-16-5-2-15/h7H,1-6H2,(H4,11,12,13,14).
What are the key properties of 2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine?
2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 255.35 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 864592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).