N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine

C13H19N5S — CID 80888105

IUPACN-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Sc1nccn1C
InChIInChI=1S/C13H19N5S/c1-4-6-10-11(14-5-2)16-9-17-12(10)19-13-15-7-8-18(13)3/h7-9H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyDDPVIKQNKIFGEA-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.75
Rot. Bonds6

About N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine

N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine (PubChem CID 80888105) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
PubChem CID80888105
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Sc1nccn1C
InChIInChI=1S/C13H19N5S/c1-4-6-10-11(14-5-2)16-9-17-12(10)19-13-15-7-8-18(13)3/h7-9H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyDDPVIKQNKIFGEA-UHFFFAOYSA-N
XLogP2.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
CID 107784869
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80990667
6-N-ethyl-5-propyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809334
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439
6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
CID 80864229
N-ethyl-8-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80888111
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 80946926
N-methyl-5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80883794
6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80908147
ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate
CID 80885711

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine (CID 80888105) is N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1Sc1nccn1C.
What is the InChIKey of N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine?
The InChIKey is DDPVIKQNKIFGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-4-6-10-11(14-5-2)16-9-17-12(10)19-13-15-7-8-18(13)3/h7-9H,4-6H2,1-3H3,(H,14,16,17).
What are the key properties of N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine?
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine has a molecular weight of 277.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80888105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).