4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine

C9H15N5S — CID 80765741

IUPAC4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine
SMILESCNc1cc(N2CCSCC2)nc(N)n1
InChIInChI=1S/C9H15N5S/c1-11-7-6-8(13-9(10)12-7)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyCIYZPLLBQZHDLO-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.65
Rot. Bonds2

About 4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine

4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 80765741) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine
PubChem CID80765741
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine
SMILESCNc1cc(N2CCSCC2)nc(N)n1
InChIInChI=1S/C9H15N5S/c1-11-7-6-8(13-9(10)12-7)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H3,10,11,12,13)
InChIKeyCIYZPLLBQZHDLO-UHFFFAOYSA-N
XLogP0.65
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
4-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidine-2,4-diamine
CID 80796760
N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80796529
2-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanol
CID 107226786
(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932159
4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine
CID 80848559
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887789
N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
CID 102737062
4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
CID 80850367
2-N-methyl-6-pyrrolidin-1-ylpyridine-2,4-diamine
CID 10241677
1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 80756026
4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 80829114

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine (CID 80765741) is 4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine is CNc1cc(N2CCSCC2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is CIYZPLLBQZHDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-11-7-6-8(13-9(10)12-7)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H3,10,11,12,13).
What are the key properties of 4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine?
4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 225.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80765741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).