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

C9H11N5S2 — CID 80893372

IUPACN-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2nncs2)nc(C)n1
InChIInChI=1S/C9H11N5S2/c1-3-10-7-4-8(13-6(2)12-7)16-9-14-11-5-15-9/h4-5H,3H2,1-2H3,(H,10,12,13)
InChIKeyJYIUUVCSYSZNON-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.22
Rot. Bonds4

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

N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80893372) has the molecular formula C9H11N5S2 and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID80893372
Molecular FormulaC9H11N5S2
Molecular Weight253.36 g/mol
Exact Mass253.05
IUPAC NameN-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCNc1cc(Sc2nncs2)nc(C)n1
InChIInChI=1S/C9H11N5S2/c1-3-10-7-4-8(13-6(2)12-7)16-9-14-11-5-15-9/h4-5H,3H2,1-2H3,(H,10,12,13)
InChIKeyJYIUUVCSYSZNON-UHFFFAOYSA-N
XLogP2.22
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949863
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-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894982
N-methyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949864
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80937649
N-ethyl-5-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80893038
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103333961
N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
CID 80888556
N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991279

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine (CID 80893372) is N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine is CCNc1cc(Sc2nncs2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is JYIUUVCSYSZNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S2/c1-3-10-7-4-8(13-6(2)12-7)16-9-14-11-5-15-9/h4-5H,3H2,1-2H3,(H,10,12,13).
What are the key properties of N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 253.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80893372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).