N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine

C11H13N5S — CID 80887110

IUPACN-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ncccn2)c1C
InChIInChI=1S/C11H13N5S/c1-3-12-9-8(2)10(16-7-15-9)17-11-13-5-4-6-14-11/h4-7H,3H2,1-2H3,(H,12,15,16)
InChIKeyLASVVXSRCIIMEL-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.16
Rot. Bonds4

About N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine

N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80887110) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
PubChem CID80887110
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC NameN-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ncccn2)c1C
InChIInChI=1S/C11H13N5S/c1-3-12-9-8(2)10(16-7-15-9)17-11-13-5-4-6-14-11/h4-7H,3H2,1-2H3,(H,12,15,16)
InChIKeyLASVVXSRCIIMEL-UHFFFAOYSA-N
XLogP2.16
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886545
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894880
5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882929
6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80889416
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80893146
6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine
CID 80891443
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80894072
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine (CID 80887110) is N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine is CCNc1ncnc(Sc2ncccn2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is LASVVXSRCIIMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-3-12-9-8(2)10(16-7-15-9)17-11-13-5-4-6-14-11/h4-7H,3H2,1-2H3,(H,12,15,16).
What are the key properties of N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine?
N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 247.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80887110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).