N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine

C11H15N5S2 — CID 80949863

IUPACN-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Sc2nncs2)n1
InChIInChI=1S/C11H15N5S2/c1-3-5-8-14-9(12-4-2)6-10(15-8)18-11-16-13-7-17-11/h6-7H,3-5H2,1-2H3,(H,12,14,15)
InChIKeyVGVXRYKXXJDQKE-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.86
Rot. Bonds6

About N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine

N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80949863) has the molecular formula C11H15N5S2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID80949863
Molecular FormulaC11H15N5S2
Molecular Weight281.41 g/mol
Exact Mass281.08
IUPAC NameN-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Sc2nncs2)n1
InChIInChI=1S/C11H15N5S2/c1-3-5-8-14-9(12-4-2)6-10(15-8)18-11-16-13-7-17-11/h6-7H,3-5H2,1-2H3,(H,12,14,15)
InChIKeyVGVXRYKXXJDQKE-UHFFFAOYSA-N
XLogP2.86
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949864
N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80893372
N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774909
N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720155
N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
CID 80947430
2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80943080
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80937649
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 80946926
6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80947795
N-methyl-2-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80947049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine (CID 80949863) is N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine is CCCc1nc(NCC)cc(Sc2nncs2)n1.
What is the InChIKey of N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is VGVXRYKXXJDQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S2/c1-3-5-8-14-9(12-4-2)6-10(15-8)18-11-16-13-7-17-11/h6-7H,3-5H2,1-2H3,(H,12,14,15).
What are the key properties of N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 281.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80949863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).