2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine

C13H18N4OS — CID 106928299

IUPAC2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(Sc2ncco2)c1C
InChIInChI=1S/C13H18N4OS/c1-4-6-14-11-9(3)12(17-10(5-2)16-11)19-13-15-7-8-18-13/h7-8H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyCPQOIQJFAZWPBM-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.31
Rot. Bonds6

About 2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine

2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine (PubChem CID 106928299) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
PubChem CID106928299
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CC)nc(Sc2ncco2)c1C
InChIInChI=1S/C13H18N4OS/c1-4-6-14-11-9(3)12(17-10(5-2)16-11)19-13-15-7-8-18-13/h7-8H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyCPQOIQJFAZWPBM-UHFFFAOYSA-N
XLogP3.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80990587
2-ethyl-5-methyl-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991390
N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928319
5-bromo-4-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-2-amine
CID 106928329
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
4-(1,3-oxazol-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106928233
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
N-ethyl-5-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928372
3-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80994777
2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine
CID 80890051
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985227

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine (CID 106928299) is 2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine is CCCNc1nc(CC)nc(Sc2ncco2)c1C.
What is the InChIKey of 2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine?
The InChIKey is CPQOIQJFAZWPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-6-14-11-9(3)12(17-10(5-2)16-11)19-13-15-7-8-18-13/h7-8H,4-6H2,1-3H3,(H,14,16,17).
What are the key properties of 2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine?
2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106928299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).