N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide

C23H27N5OS — CID 25017640

IUPACN-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnc(NCC3CCCNC3)nc2s1
InChIInChI=1S/C23H27N5OS/c1-14-4-5-16(21(29)27-18-6-7-18)9-19(14)20-10-17-13-26-23(28-22(17)30-20)25-12-15-3-2-8-24-11-15/h4-5,9-10,13,15,18,24H,2-3,6-8,11-12H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyDUSJDJNWXZKBGI-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.97
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide

N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide (PubChem CID 25017640) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide
PubChem CID25017640
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC NameN-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnc(NCC3CCCNC3)nc2s1
InChIInChI=1S/C23H27N5OS/c1-14-4-5-16(21(29)27-18-6-7-18)9-19(14)20-10-17-13-26-23(28-22(17)30-20)25-12-15-3-2-8-24-11-15/h4-5,9-10,13,15,18,24H,2-3,6-8,11-12H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyDUSJDJNWXZKBGI-UHFFFAOYSA-N
XLogP3.97
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide with MolForge

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Related Compounds

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CID 58829680
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CID 69461402
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
4-chloro-5-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71639098
3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322
N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829618
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
3,4-dichloro-N-[4-[[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide
CID 23026897
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide
CID 69489101
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide (CID 25017640) is N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnc(NCC3CCCNC3)nc2s1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide?
The InChIKey is DUSJDJNWXZKBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-14-4-5-16(21(29)27-18-6-7-18)9-19(14)20-10-17-13-26-23(28-22(17)30-20)25-12-15-3-2-8-24-11-15/h4-5,9-10,13,15,18,24H,2-3,6-8,11-12H2,1H3,(H,27,29)(H,25,26,28).
What are the key properties of N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide?
N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide has a molecular weight of 421.57 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 25017640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).