5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine

C12H17N5S — CID 50963822

IUPAC5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCc1nnc(CNc2nc(C)ncc2CC)s1
InChIInChI=1S/C12H17N5S/c1-4-9-6-13-8(3)15-12(9)14-7-11-17-16-10(5-2)18-11/h6H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyWWDRKMIVAQDDJQ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.37
Rot. Bonds5

About 5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine

5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 50963822) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID50963822
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCc1nnc(CNc2nc(C)ncc2CC)s1
InChIInChI=1S/C12H17N5S/c1-4-9-6-13-8(3)15-12(9)14-7-11-17-16-10(5-2)18-11/h6H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyWWDRKMIVAQDDJQ-UHFFFAOYSA-N
XLogP2.37
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-{2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}-2-methylpyrimidin-4-amine
CID 50950395
5-ethyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]-2-methylpyrimidin-4-amine
CID 50978867
N~4~-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72926789
2-Methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
CID 139230761
5-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
CID 139230762
2-Methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
CID 139230763
5-(5-Butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
CID 139230764
2-Methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
CID 139230765
5-[(5-Methyl-1,3,4-thiadiazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 153924265
1-(1-methyl-1H-1,2,4-triazol-5-yl)-N-{[2-(propylthio)pyrimidin-5-yl]methyl}propan-1-amine
CID 46992962
5-ethyl-2-methyl-N-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 50956110
N-{[3-(dimethylamino)tetrahydro-3-thienyl]methyl}-5-ethyl-2-methylpyrimidin-4-amine
CID 50972088

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine (CID 50963822) is 5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine is CCc1nnc(CNc2nc(C)ncc2CC)s1.
What is the InChIKey of 5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is WWDRKMIVAQDDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-9-6-13-8(3)15-12(9)14-7-11-17-16-10(5-2)18-11/h6H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine?
5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 50963822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).