5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine

C13H22N4S — CID 80835791

IUPAC5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCSCC2C)n1
InChIInChI=1S/C13H22N4S/c1-4-5-14-13-15-8-10(2)12(16-13)17-6-7-18-9-11(17)3/h8,11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyFSKJGBVZAAWJAB-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.55
Rot. Bonds4

About 5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine

5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine (PubChem CID 80835791) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
PubChem CID80835791
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CCSCC2C)n1
InChIInChI=1S/C13H22N4S/c1-4-5-14-13-15-8-10(2)12(16-13)17-6-7-18-9-11(17)3/h8,11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyFSKJGBVZAAWJAB-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767020
4-methyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835884
2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80836387
5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine
CID 114541868
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80835693
5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
CID 80836377
1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
CID 80804882
1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839871
5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80766777
4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80830988

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine (CID 80835791) is 5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(N2CCSCC2C)n1.
What is the InChIKey of 5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine?
The InChIKey is FSKJGBVZAAWJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-4-5-14-13-15-8-10(2)12(16-13)17-6-7-18-9-11(17)3/h8,11H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine?
5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine has a molecular weight of 266.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80835791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).