(3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide

C18H24ClN5O2S — CID 57494048

IUPAC(3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C18H24ClN5O2S/c1-20-17(25)12-3-2-4-23(10-12)11-13-9-14-15(27-13)16(22-18(19)21-14)24-5-7-26-8-6-24/h9,12H,2-8,10-11H2,1H3,(H,20,25)/t12-/m1/s1
InChIKeyASVRFGUPTBJHJR-GFCCVEGCSA-N
MW409.94 g/mol
LogP2.14
Rot. Bonds4

About (3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide

(3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 57494048) has the molecular formula C18H24ClN5O2S and a molecular weight of 409.94 g/mol. Its IUPAC name is (3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID57494048
Molecular FormulaC18H24ClN5O2S
Molecular Weight409.94 g/mol
Exact Mass409.13
IUPAC Name(3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C18H24ClN5O2S/c1-20-17(25)12-3-2-4-23(10-12)11-13-9-14-15(27-13)16(22-18(19)21-14)24-5-7-26-8-6-24/h9,12H,2-8,10-11H2,1H3,(H,20,25)/t12-/m1/s1
InChIKeyASVRFGUPTBJHJR-GFCCVEGCSA-N
XLogP2.14
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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
(3R,4S)-4-(azetidin-1-yl)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidine-3-carboxamide
CID 58117118
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-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 57494043
tert-butyl 4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazine-1-carboxylate
CID 57494058
(4aR)-6-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-1-methyl-5,7,8,8a-tetrahydro-4aH-pyrido[3,4-b][1,4]oxazin-2-one
CID 163766791
4-[2-chloro-6-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 66553795
4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 76543090
1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 57493974
N-[[1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-yl]-cyclopropylmethyl]-2-methoxyethanamine
CID 87197844
1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-4-phenylpiperidin-4-ol
CID 86623539

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide (CID 57494048) is (3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide is CNC(=O)[C@@H]1CCCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)C1.
What is the InChIKey of (3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is ASVRFGUPTBJHJR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24ClN5O2S/c1-20-17(25)12-3-2-4-23(10-12)11-13-9-14-15(27-13)16(22-18(19)21-14)24-5-7-26-8-6-24/h9,12H,2-8,10-11H2,1H3,(H,20,25)/t12-/m1/s1.
What are the key properties of (3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide?
(3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 409.94 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 57494048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).