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

C12H17N5S2 — CID 80991390

IUPAC2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(Sc2nncs2)c1C
InChIInChI=1S/C12H17N5S2/c1-4-6-13-10-8(3)11(16-9(5-2)15-10)19-12-17-14-7-18-12/h7H,4-6H2,1-3H3,(H,13,15,16)
InChIKeyQHABZACNLUXHHM-UHFFFAOYSA-N
MW295.44 g/mol
LogP3.17
Rot. Bonds6

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

2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80991390) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID80991390
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC Name2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(Sc2nncs2)c1C
InChIInChI=1S/C12H17N5S2/c1-4-6-13-10-8(3)11(16-9(5-2)15-10)19-12-17-14-7-18-12/h7H,4-6H2,1-3H3,(H,13,15,16)
InChIKeyQHABZACNLUXHHM-UHFFFAOYSA-N
XLogP3.17
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991279
2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80990587
2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
CID 106928299
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-ethyl-5-methyl-6-N-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983690
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179
N-ethyl-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80989868
2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80989793
3-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80994777
N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990087
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine (CID 80991390) is 2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine is CCCNc1nc(CC)nc(Sc2nncs2)c1C.
What is the InChIKey of 2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is QHABZACNLUXHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-4-6-13-10-8(3)11(16-9(5-2)15-10)19-12-17-14-7-18-12/h7H,4-6H2,1-3H3,(H,13,15,16).
What are the key properties of 2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine?
2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 295.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80991390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).