N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine

C11H15N5S2 — CID 80991279

IUPACN,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Sc2nncs2)c1C
InChIInChI=1S/C11H15N5S2/c1-4-8-14-9(12-5-2)7(3)10(15-8)18-11-16-13-6-17-11/h6H,4-5H2,1-3H3,(H,12,14,15)
InChIKeyHEJYJEDZTMOJEC-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.78
Rot. Bonds5

About N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine

N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80991279) has the molecular formula C11H15N5S2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID80991279
Molecular FormulaC11H15N5S2
Molecular Weight281.41 g/mol
Exact Mass281.08
IUPAC NameN,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Sc2nncs2)c1C
InChIInChI=1S/C11H15N5S2/c1-4-8-14-9(12-5-2)7(3)10(15-8)18-11-16-13-6-17-11/h6H,4-5H2,1-3H3,(H,12,14,15)
InChIKeyHEJYJEDZTMOJEC-UHFFFAOYSA-N
XLogP2.78
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991390
N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990087
N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
N-ethyl-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80989868
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179
2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80990475
N-ethyl-5-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80893038
2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80990587
N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991094
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80995753
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80994486

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine (CID 80991279) is N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine is CCNc1nc(CC)nc(Sc2nncs2)c1C.
What is the InChIKey of N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is HEJYJEDZTMOJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S2/c1-4-8-14-9(12-5-2)7(3)10(15-8)18-11-16-13-6-17-11/h6H,4-5H2,1-3H3,(H,12,14,15).
What are the key properties of N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 281.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80991279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).