2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine

C15H24N4S — CID 80984939

IUPAC2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(N2CCSCC2C)c1C
InChIInChI=1S/C15H24N4S/c1-4-16-13-11(3)15(18-14(17-13)12-5-6-12)19-7-8-20-9-10(19)2/h10,12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyWUBHXKJEKZSCMZ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.04
Rot. Bonds4

About 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine

2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine (PubChem CID 80984939) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
PubChem CID80984939
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(N2CCSCC2C)c1C
InChIInChI=1S/C15H24N4S/c1-4-16-13-11(3)15(18-14(17-13)12-5-6-12)19-7-8-20-9-10(19)2/h10,12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyWUBHXKJEKZSCMZ-UHFFFAOYSA-N
XLogP3.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80980816
6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80982039
2-cyclopropyl-N-ethyl-5-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80981359
2-cyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80984725
2-cyclopropyl-5-methyl-6-(3-methylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80986418
2-cyclopropyl-6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992120
2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992622
N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80985618
2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80988896
2-cyclopropyl-6-(3,3-dimethylmorpholin-4-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80986182

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine (CID 80984939) is 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine is CCNc1nc(C2CC2)nc(N2CCSCC2C)c1C.
What is the InChIKey of 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The InChIKey is WUBHXKJEKZSCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-4-16-13-11(3)15(18-14(17-13)12-5-6-12)19-7-8-20-9-10(19)2/h10,12H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine has a molecular weight of 292.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80984939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).