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

C11H19N5S — CID 114174035

IUPAC2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCN2CCSCC2)n1
InChIInChI=1S/C11H19N5S/c1-9-14-10(12)8-11(15-9)13-2-3-16-4-6-17-7-5-16/h8H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyYJEYNZVDYMSBTJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.83
Rot. Bonds4

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

2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 114174035) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID114174035
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCCN2CCSCC2)n1
InChIInChI=1S/C11H19N5S/c1-9-14-10(12)8-11(15-9)13-2-3-16-4-6-17-7-5-16/h8H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyYJEYNZVDYMSBTJ-UHFFFAOYSA-N
XLogP0.83
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 113234720
6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106325943
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
6-hydrazinyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327653
4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106327552
6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106327619
2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327505
6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine
CID 114174033
2-N-propyl-6-N-(2-thiomorpholin-4-ylethyl)pyridine-2,6-diamine
CID 106327485
2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106327611
4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine
CID 106324704
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine (CID 114174035) is 2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine is Cc1nc(N)cc(NCCN2CCSCC2)n1.
What is the InChIKey of 2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is YJEYNZVDYMSBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-9-14-10(12)8-11(15-9)13-2-3-16-4-6-17-7-5-16/h8H,2-7H2,1H3,(H3,12,13,14,15).
What are the key properties of 2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine?
2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 253.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114174035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).