3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine

C14H19Cl2N3S — CID 103595149

IUPAC3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine
SMILESCN1CCSCC1c1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C14H19Cl2N3S/c1-19-6-7-20-8-10(19)14-17-12(15)11(13(16)18-14)9-4-2-3-5-9/h9-10H,2-8H2,1H3
InChIKeyDSVJIADKGBNMIG-UHFFFAOYSA-N
MW332.30 g/mol
LogP4.16
Rot. Bonds2

About 3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine

3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine (PubChem CID 103595149) has the molecular formula C14H19Cl2N3S and a molecular weight of 332.30 g/mol. Its IUPAC name is 3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine.

Molecular Properties

Compound Name3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine
PubChem CID103595149
Molecular FormulaC14H19Cl2N3S
Molecular Weight332.30 g/mol
Exact Mass331.07
IUPAC Name3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine
SMILESCN1CCSCC1c1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C14H19Cl2N3S/c1-19-6-7-20-8-10(19)14-17-12(15)11(13(16)18-14)9-4-2-3-5-9/h9-10H,2-8H2,1H3
InChIKeyDSVJIADKGBNMIG-UHFFFAOYSA-N
XLogP4.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[1-[(2S)-2-aminopropyl]piperidin-4-yl]ethyl]-6-chloro-2-methylpyrimidin-4-amine
CID 141443388
4-(6-Chloro-5-propylpyrimidin-4-yl)-3-methylthiomorpholine
CID 64051869
4,6-Dichloro-2-(2-methylpropylsulfanylmethyl)-5-propylpyrimidine
CID 65137916
4,6-Dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine
CID 65138581
4,6-Dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine
CID 65139974
4,6-Dichloro-2-(1,4-dimethylpiperazin-2-yl)-5-propylpyrimidine
CID 79658716
4,6-Dichloro-5-propyl-2-(thian-2-yl)pyrimidine
CID 80622282
4,6-Dichloro-5-propan-2-yl-2-(thian-2-yl)pyrimidine
CID 80622401
4,6-Dichloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-5-propylpyrimidine
CID 103344672
4,6-Dichloro-5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)pyrimidine
CID 103344692
3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine
CID 103595118
3-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-4-methylthiomorpholine
CID 103595121

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine?
The IUPAC name of 3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine (CID 103595149) is 3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine.
What is the SMILES notation for 3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine?
The canonical SMILES for 3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine is CN1CCSCC1c1nc(Cl)c(C2CCCC2)c(Cl)n1.
What is the InChIKey of 3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine?
The InChIKey is DSVJIADKGBNMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3S/c1-19-6-7-20-8-10(19)14-17-12(15)11(13(16)18-14)9-4-2-3-5-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine?
3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine has a molecular weight of 332.30 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-4-methylthiomorpholine is sourced from PubChem (CID 103595149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).