5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine

C14H23N3OS — CID 107765164

IUPAC5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(SC2CCOC2C)c1CC
InChIInChI=1S/C14H23N3OS/c1-4-7-15-13-11(5-2)14(17-9-16-13)19-12-6-8-18-10(12)3/h9-10,12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyJUDBPVKDLSOKDU-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.13
Rot. Bonds6

About 5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine

5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine (PubChem CID 107765164) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine
PubChem CID107765164
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(SC2CCOC2C)c1CC
InChIInChI=1S/C14H23N3OS/c1-4-7-15-13-11(5-2)14(17-9-16-13)19-12-6-8-18-10(12)3/h9-10,12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyJUDBPVKDLSOKDU-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765189
5-ethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765165
6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
CID 80889758
[6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyrimidin-4-yl]hydrazine
CID 107766184
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82745995
4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107765081
5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80885817
5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80895253
5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830097
5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine
CID 80858878
4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 107756412

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine (CID 107765164) is 5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(SC2CCOC2C)c1CC.
What is the InChIKey of 5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is JUDBPVKDLSOKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-7-15-13-11(5-2)14(17-9-16-13)19-12-6-8-18-10(12)3/h9-10,12H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine?
5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 281.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107765164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).