4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine

C14H18ClN3OS — CID 21350741

IUPAC4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine
SMILESCCC1OC(n2ccc3c(Cl)nc(SC)nc32)CC1C
InChIInChI=1S/C14H18ClN3OS/c1-4-10-8(2)7-11(19-10)18-6-5-9-12(15)16-14(20-3)17-13(9)18/h5-6,8,10-11H,4,7H2,1-3H3
InChIKeyYVVTZCONWVFWFZ-UHFFFAOYSA-N
MW311.84 g/mol
LogP4.14
Rot. Bonds3

About 4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine

4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine (PubChem CID 21350741) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine
PubChem CID21350741
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine
SMILESCCC1OC(n2ccc3c(Cl)nc(SC)nc32)CC1C
InChIInChI=1S/C14H18ClN3OS/c1-4-10-8(2)7-11(19-10)18-6-5-9-12(15)16-14(20-3)17-13(9)18/h5-6,8,10-11H,4,7H2,1-3H3
InChIKeyYVVTZCONWVFWFZ-UHFFFAOYSA-N
XLogP4.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-amino-4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;7-(5-ethyl-4-methyloxolan-2-yl)-4-methylsulfanylpyrrolo[2,3-d]pyrimidin-2-amine
CID 90920522
4-chloro-7-[5-(methoxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine
CID 137490930
[5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;propane-2,2-diol
CID 142528248
2,6-dichloro-9-(5-ethyl-4-methyloxolan-2-yl)purine
CID 20656110
7-[(2R,4R,5S)-4-methyl-5-(methylsulfanylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine
CID 155185633
[(2R,3S,5R)-5-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 118389441
7-[(4R,6R,6aS)-6-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidin-2-amine
CID 159608400
4-amino-1-[(4S,5R)-5-ethyl-4-methyloxolan-2-yl]-1,3,5-triazin-2-one
CID 59475669
4-chloro-7-[(2R)-2,3-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine
CID 134823810
4-amino-1-[(2R,4S,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidin-2-one
CID 58332720
[3-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]-methylborinic acid
CID 162268214
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine (CID 21350741) is 4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine is CCC1OC(n2ccc3c(Cl)nc(SC)nc32)CC1C.
What is the InChIKey of 4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine?
The InChIKey is YVVTZCONWVFWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-4-10-8(2)7-11(19-10)18-6-5-9-12(15)16-14(20-3)17-13(9)18/h5-6,8,10-11H,4,7H2,1-3H3.
What are the key properties of 4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine?
4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine has a molecular weight of 311.84 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(5-ethyl-4-methyloxolan-2-yl)-2-methylsulfanylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 21350741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).