N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine

C10H13N5S2 — CID 80894982

IUPACN-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1cc(Sc2nc(C)ns2)nc(C)n1
InChIInChI=1S/C10H13N5S2/c1-4-11-8-5-9(13-6(2)12-8)16-10-14-7(3)15-17-10/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyGCKQSLBQEWBMAP-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.53
Rot. Bonds4

About N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine

N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80894982) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80894982
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC NameN-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1cc(Sc2nc(C)ns2)nc(C)n1
InChIInChI=1S/C10H13N5S2/c1-4-11-8-5-9(13-6(2)12-8)16-10-14-7(3)15-17-10/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyGCKQSLBQEWBMAP-UHFFFAOYSA-N
XLogP2.53
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80893372
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720410
4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895254
2-cyclopropyl-N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80964140
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
CID 80888556
[2-cyclopropyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980300
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894880
N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80937649
6-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-2-methylpyrimidin-4-amine
CID 80894774
3-[6-(ethylamino)-2-methylpyrimidin-4-yl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785263

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine (CID 80894982) is N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine is CCNc1cc(Sc2nc(C)ns2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is GCKQSLBQEWBMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-4-11-8-5-9(13-6(2)12-8)16-10-14-7(3)15-17-10/h5H,4H2,1-3H3,(H,11,12,13).
What are the key properties of N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine?
N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 2.53, 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-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80894982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).