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

C10H13N5S2 — CID 80886545

IUPACN-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1ncnc(Sc2nnc(C)s2)c1C
InChIInChI=1S/C10H13N5S2/c1-4-11-8-6(2)9(13-5-12-8)17-10-15-14-7(3)16-10/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyQNPSEIHSRGZADP-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.53
Rot. Bonds4

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

N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80886545) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80886545
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC NameN-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1ncnc(Sc2nnc(C)s2)c1C
InChIInChI=1S/C10H13N5S2/c1-4-11-8-6(2)9(13-5-12-8)17-10-15-14-7(3)16-10/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyQNPSEIHSRGZADP-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

5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882929
5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80885817
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894880
N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
CID 80887110
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 115384440
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549
N-ethyl-5-methyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80885461
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 112726508
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80894072
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80886182

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 80886545) is N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is CCNc1ncnc(Sc2nnc(C)s2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is QNPSEIHSRGZADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-4-11-8-6(2)9(13-5-12-8)17-10-15-14-7(3)16-10/h5H,4H2,1-3H3,(H,11,12,13).
What are the key properties of N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-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-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80886545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).