N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine

C14H24N4S — CID 80985618

IUPACN,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(N2CCSCC2C)c1C
InChIInChI=1S/C14H24N4S/c1-9(2)12-16-13(15-5)11(4)14(17-12)18-6-7-19-8-10(18)3/h9-10H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyXRAYZQGWSQKVLX-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.89
Rot. Bonds3

About N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine

N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80985618) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80985618
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(N2CCSCC2C)c1C
InChIInChI=1S/C14H24N4S/c1-9(2)12-16-13(15-5)11(4)14(17-12)18-6-7-19-8-10(18)3/h9-10H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyXRAYZQGWSQKVLX-UHFFFAOYSA-N
XLogP2.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-6-(4-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80981572
6-(2,5-dimethylmorpholin-4-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80993238
N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80985082
2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80836387
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961764
6-(2,6-dimethylmorpholin-4-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80981350
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80984939
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 83224199
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine
CID 80978725
6-[3-(methoxymethyl)piperidin-1-yl]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 106590209
6-(2,4-dimethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80825971
5-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80986419

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80985618) is N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(N2CCSCC2C)c1C.
What is the InChIKey of N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XRAYZQGWSQKVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-9(2)12-16-13(15-5)11(4)14(17-12)18-6-7-19-8-10(18)3/h9-10H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine?
N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80985618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).