4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine

C19H26ClN5OS — CID 87185652

IUPAC4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2sc(C(C3CCN3)N3CCCCC3)cc2n1
InChIInChI=1S/C19H26ClN5OS/c20-19-22-14-12-15(16(13-4-5-21-13)24-6-2-1-3-7-24)27-17(14)18(23-19)25-8-10-26-11-9-25/h12-13,16,21H,1-11H2
InChIKeyZUHICQBSIDKEEO-UHFFFAOYSA-N
MW407.97 g/mol
LogP3.07
Rot. Bonds4

About 4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine

4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 87185652) has the molecular formula C19H26ClN5OS and a molecular weight of 407.97 g/mol. Its IUPAC name is 4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID87185652
Molecular FormulaC19H26ClN5OS
Molecular Weight407.97 g/mol
Exact Mass407.15
IUPAC Name4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESClc1nc(N2CCOCC2)c2sc(C(C3CCN3)N3CCCCC3)cc2n1
InChIInChI=1S/C19H26ClN5OS/c20-19-22-14-12-15(16(13-4-5-21-13)24-6-2-1-3-7-24)27-17(14)18(23-19)25-8-10-26-11-9-25/h12-13,16,21H,1-11H2
InChIKeyZUHICQBSIDKEEO-UHFFFAOYSA-N
XLogP3.07
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

4-[2-chloro-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86623510
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl methanesulfonate
CID 86618430
1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-2-ethylsulfonylethanamine
CID 91443979
4-(2-chloro-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 138682176
(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-(4-methylsulfonylphenyl)methanol
CID 86618454
4-[2-[azetidin-2-yl(piperidin-1-yl)methyl]-5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 66937963
4-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)aniline
CID 59829352
(3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 57494048
(3S)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 57494049
4-[2-chloro-6-[[3-(methoxymethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494038
4-[2-chloro-6-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494043

Frequently Asked Questions

What is the IUPAC name of 4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine (CID 87185652) is 4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine is Clc1nc(N2CCOCC2)c2sc(C(C3CCN3)N3CCCCC3)cc2n1.
What is the InChIKey of 4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is ZUHICQBSIDKEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5OS/c20-19-22-14-12-15(16(13-4-5-21-13)24-6-2-1-3-7-24)27-17(14)18(23-19)25-8-10-26-11-9-25/h12-13,16,21H,1-11H2.
What are the key properties of 4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 407.97 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[azetidin-2-yl(piperidin-1-yl)methyl]-2-chlorothieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 87185652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).