N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide

C22H27N7O2S — CID 69044924

IUPACN-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1cc2c(N3CCOCC3)nc(-c3cncnc3)nc2s1)C(=O)C1CCNCC1
InChIInChI=1S/C22H27N7O2S/c1-28(22(30)15-2-4-23-5-3-15)13-17-10-18-20(29-6-8-31-9-7-29)26-19(27-21(18)32-17)16-11-24-14-25-12-16/h10-12,14-15,23H,2-9,13H2,1H3
InChIKeyBMQBWNIBLITZMS-UHFFFAOYSA-N
MW453.57 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide

N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide (PubChem CID 69044924) has the molecular formula C22H27N7O2S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide
PubChem CID69044924
Molecular FormulaC22H27N7O2S
Molecular Weight453.57 g/mol
Exact Mass453.19
IUPAC NameN-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1cc2c(N3CCOCC3)nc(-c3cncnc3)nc2s1)C(=O)C1CCNCC1
InChIInChI=1S/C22H27N7O2S/c1-28(22(30)15-2-4-23-5-3-15)13-17-10-18-20(29-6-8-31-9-7-29)26-19(27-21(18)32-17)16-11-24-14-25-12-16/h10-12,14-15,23H,2-9,13H2,1H3
InChIKeyBMQBWNIBLITZMS-UHFFFAOYSA-N
XLogP1.94
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide
CID 118914305
N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59829243
4-[6-(4-methoxy-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-4-yl]morpholine
CID 59829572
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59817867
4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide
CID 24938263
(2R)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 58234040
[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]-3-pyridinyl]methanol
CID 58233987
5-[6-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 24948546
methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 143572067
5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563
4-[2-(2,4-dimethoxypyrimidin-5-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 70306461
N-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide
CID 90690493

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide (CID 69044924) is N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide is CN(Cc1cc2c(N3CCOCC3)nc(-c3cncnc3)nc2s1)C(=O)C1CCNCC1.
What is the InChIKey of N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide?
The InChIKey is BMQBWNIBLITZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2S/c1-28(22(30)15-2-4-23-5-3-15)13-17-10-18-20(29-6-8-31-9-7-29)26-19(27-21(18)32-17)16-11-24-14-25-12-16/h10-12,14-15,23H,2-9,13H2,1H3.
What are the key properties of N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide?
N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 69044924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).