N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide

C29H29N7O2S2 — CID 141481230

IUPACN-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide
SMILESCC1COCCN1c1nc(-c2ccc(NC(=O)c3cc(-c4cccs4)ccn3)nc2)nc2cc(CN(C)C)sc12
InChIInChI=1S/C29H29N7O2S2/c1-18-17-38-11-10-36(18)28-26-22(14-21(40-26)16-35(2)3)32-27(34-28)20-6-7-25(31-15-20)33-29(37)23-13-19(8-9-30-23)24-5-4-12-39-24/h4-9,12-15,18H,10-11,16-17H2,1-3H3,(H,31,33,37)
InChIKeyRDHSIGBCWDTODC-UHFFFAOYSA-N
MW571.73 g/mol
LogP5.42
Rot. Bonds7

About N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide

N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide (PubChem CID 141481230) has the molecular formula C29H29N7O2S2 and a molecular weight of 571.73 g/mol. Its IUPAC name is N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide
PubChem CID141481230
Molecular FormulaC29H29N7O2S2
Molecular Weight571.73 g/mol
Exact Mass571.18
IUPAC NameN-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide
SMILESCC1COCCN1c1nc(-c2ccc(NC(=O)c3cc(-c4cccs4)ccn3)nc2)nc2cc(CN(C)C)sc12
InChIInChI=1S/C29H29N7O2S2/c1-18-17-38-11-10-36(18)28-26-22(14-21(40-26)16-35(2)3)32-27(34-28)20-6-7-25(31-15-20)33-29(37)23-13-19(8-9-30-23)24-5-4-12-39-24/h4-9,12-15,18H,10-11,16-17H2,1-3H3,(H,31,33,37)
InChIKeyRDHSIGBCWDTODC-UHFFFAOYSA-N
XLogP5.42
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.73
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide with MolForge

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Related Compounds

5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyridin-2-Amine
CID 44620965
(3-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 25109378
2-Methyl-2-(4-((4-morpholino-2-(1h-pyrrolo[2,3-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)propanamide
CID 49834039
US10100058, Example 211
CID 134539877
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid cyclo-hexylamide
CID 25230100
(S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230181
{6-Dimethylamino-2-[(pyridine-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
CID 25230881
(+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25231166
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid ethyl-amide
CID 25231167
{2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-pyrrolidin-1-yl-methanone
CID 25231168
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid iso-propylamide
CID 25231170
(3-(2-(2-Aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 46886410

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide (CID 141481230) is N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide is CC1COCCN1c1nc(-c2ccc(NC(=O)c3cc(-c4cccs4)ccn3)nc2)nc2cc(CN(C)C)sc12.
What is the InChIKey of N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide?
The InChIKey is RDHSIGBCWDTODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O2S2/c1-18-17-38-11-10-36(18)28-26-22(14-21(40-26)16-35(2)3)32-27(34-28)20-6-7-25(31-15-20)33-29(37)23-13-19(8-9-30-23)24-5-4-12-39-24/h4-9,12-15,18H,10-11,16-17H2,1-3H3,(H,31,33,37).
What are the key properties of N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide?
N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide has a molecular weight of 571.73 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[(dimethylamino)methyl]-4-(3-methylmorpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]-4-thiophen-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 141481230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).