4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine

C18H21ClN4O2S — CID 163915630

IUPAC4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine
SMILESO=S(c1ccccn1)C1(c2cc(N3CCOCC3)nc(Cl)n2)CCCC1
InChIInChI=1S/C18H21ClN4O2S/c19-17-21-14(13-15(22-17)23-9-11-25-12-10-23)18(6-2-3-7-18)26(24)16-5-1-4-8-20-16/h1,4-5,8,13H,2-3,6-7,9-12H2
InChIKeyQVZNCCWQMFCWBC-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.94
Rot. Bonds4

About 4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine

4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine (PubChem CID 163915630) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine
PubChem CID163915630
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC Name4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine
SMILESO=S(c1ccccn1)C1(c2cc(N3CCOCC3)nc(Cl)n2)CCCC1
InChIInChI=1S/C18H21ClN4O2S/c19-17-21-14(13-15(22-17)23-9-11-25-12-10-23)18(6-2-3-7-18)26(24)16-5-1-4-8-20-16/h1,4-5,8,13H,2-3,6-7,9-12H2
InChIKeyQVZNCCWQMFCWBC-UHFFFAOYSA-N
XLogP2.94
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopentyl]methanesulfinate
CID 175267852
4-[2-chloro-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
CID 174644321
4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine
CID 143741738
[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-(4-fluorophenyl)sulfanium
CID 143741808
[[1-[2-chloro-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfanylidene]carbamic acid
CID 154961474
2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide
CID 143741668
4-[2-chloro-6-[1-[2-(trifluoromethyl)phenyl]sulfinylcyclopropyl]pyrimidin-4-yl]-3-methylmorpholine
CID 163602148
4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine
CID 143742020
4-(2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 62968346
[1-[2-chloro-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]cyclopentyl]methanesulfinic acid
CID 174603748
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
2-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)ethanamine
CID 83852725

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine (CID 163915630) is 4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine is O=S(c1ccccn1)C1(c2cc(N3CCOCC3)nc(Cl)n2)CCCC1.
What is the InChIKey of 4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine?
The InChIKey is QVZNCCWQMFCWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c19-17-21-14(13-15(22-17)23-9-11-25-12-10-23)18(6-2-3-7-18)26(24)16-5-1-4-8-20-16/h1,4-5,8,13H,2-3,6-7,9-12H2.
What are the key properties of 4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine?
4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine has a molecular weight of 392.91 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 163915630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).