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

C14H24N4S — CID 80836387

IUPAC2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(N2CCSCC2C)c1C
InChIInChI=1S/C14H24N4S/c1-5-6-15-13-11(3)14(17-12(4)16-13)18-7-8-19-9-10(18)2/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyYMFPRTCCCALUNZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.86
Rot. Bonds4

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

2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine (PubChem CID 80836387) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
PubChem CID80836387
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(N2CCSCC2C)c1C
InChIInChI=1S/C14H24N4S/c1-5-6-15-13-11(3)14(17-12(4)16-13)18-7-8-19-9-10(18)2/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyYMFPRTCCCALUNZ-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80984939
5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835791
4-methyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835884
2,5-dimethyl-6-N-propyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327505
[4-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol
CID 81216976
2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298770
N,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80985618
2,5-dimethyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80767316
1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674594
2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80987881
4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80835693

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine (CID 80836387) is 2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(N2CCSCC2C)c1C.
What is the InChIKey of 2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine?
The InChIKey is YMFPRTCCCALUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-5-6-15-13-11(3)14(17-12(4)16-13)18-7-8-19-9-10(18)2/h10H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine?
2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80836387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).