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

C13H19N5S — CID 80946926

IUPACN-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Sc2nccn2C)n1
InChIInChI=1S/C13H19N5S/c1-4-6-10-16-11(14-5-2)9-12(17-10)19-13-15-7-8-18(13)3/h7-9H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyURERSGUMWWUYRT-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.75
Rot. Bonds6

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

N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine (PubChem CID 80946926) 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-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
PubChem CID80946926
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(Sc2nccn2C)n1
InChIInChI=1S/C13H19N5S/c1-4-6-10-16-11(14-5-2)9-12(17-10)19-13-15-7-8-18(13)3/h7-9H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyURERSGUMWWUYRT-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

6-N-ethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950520
N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyrazin-2-amine
CID 78990307
N-ethyl-6-(1-methylimidazol-2-yl)-2-propylpyrimidin-4-amine
CID 80945480
6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774979
N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
CID 80947430
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80944629
2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80943080
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80947795
N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949863
N-ethyl-8-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80888111

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine (CID 80946926) is N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(Sc2nccn2C)n1.
What is the InChIKey of N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine?
The InChIKey is URERSGUMWWUYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-4-6-10-16-11(14-5-2)9-12(17-10)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-2-propylpyrimidin-4-amine?
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-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-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).