N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine

C14H24N4S — CID 80985082

IUPACN,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(CC)nc(N2CCSCC2C)c1C
InChIInChI=1S/C14H24N4S/c1-5-12-16-13(15-6-2)11(4)14(17-12)18-7-8-19-9-10(18)3/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyGYJVTBCPWRYVDL-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.72
Rot. Bonds4

About N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine

N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine (PubChem CID 80985082) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
PubChem CID80985082
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(CC)nc(N2CCSCC2C)c1C
InChIInChI=1S/C14H24N4S/c1-5-12-16-13(15-6-2)11(4)14(17-12)18-7-8-19-9-10(18)3/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyGYJVTBCPWRYVDL-UHFFFAOYSA-N
XLogP2.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80984939
6-(2,4-dimethylpiperidin-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982600
2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80836387
N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 102887630
[1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80987896
6-(2,6-dimethylmorpholin-4-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982249
N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80985618
N,6-diethyl-4-(3-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103328077
2-ethyl-N,5-dimethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80981348
N-ethyl-5-methyl-6-(3-methylmorpholin-4-yl)-2-propylpyrimidin-4-amine
CID 80993713
N-ethyl-2-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80836054
1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683955

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine (CID 80985082) is N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine is CCNc1nc(CC)nc(N2CCSCC2C)c1C.
What is the InChIKey of N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
The InChIKey is GYJVTBCPWRYVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-5-12-16-13(15-6-2)11(4)14(17-12)18-7-8-19-9-10(18)3/h10H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine?
N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80985082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).