N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C26H29N5O3S — CID 45246869

IUPACN-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC(c2ccccc2)c2ccco2)sc2ncnc(NCCCN3CCOCC3)c12
InChIInChI=1S/C26H29N5O3S/c1-18-21-24(27-10-6-11-31-12-15-33-16-13-31)28-17-29-26(21)35-23(18)25(32)30-22(20-9-5-14-34-20)19-7-3-2-4-8-19/h2-5,7-9,14,17,22H,6,10-13,15-16H2,1H3,(H,30,32)(H,27,28,29)
InChIKeyFQFWJYDKPXWSAO-UHFFFAOYSA-N
MW491.62 g/mol
LogP4.25
Rot. Bonds9

About N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide

N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45246869) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45246869
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC NameN-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC(c2ccccc2)c2ccco2)sc2ncnc(NCCCN3CCOCC3)c12
InChIInChI=1S/C26H29N5O3S/c1-18-21-24(27-10-6-11-31-12-15-33-16-13-31)28-17-29-26(21)35-23(18)25(32)30-22(20-9-5-14-34-20)19-7-3-2-4-8-19/h2-5,7-9,14,17,22H,6,10-13,15-16H2,1H3,(H,30,32)(H,27,28,29)
InChIKeyFQFWJYDKPXWSAO-UHFFFAOYSA-N
XLogP4.25
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 29088094
4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26326223
[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 28953252
[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
CID 45230677
2-(furan-2-yl)-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25472702
5-methyl-N-(2-morpholin-4-ylethyl)-4-[4-(1-phenylethenylamino)anilino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 143514876
5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344805
5-methyl-4-(4-methylpiperazin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344718
N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
CID 43178931
[4-[2-(dimethylamino)ethylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 42327099
5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118760154
N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26283046

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45246869) is N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC(c2ccccc2)c2ccco2)sc2ncnc(NCCCN3CCOCC3)c12.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FQFWJYDKPXWSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-18-21-24(27-10-6-11-31-12-15-33-16-13-31)28-17-29-26(21)35-23(18)25(32)30-22(20-9-5-14-34-20)19-7-3-2-4-8-19/h2-5,7-9,14,17,22H,6,10-13,15-16H2,1H3,(H,30,32)(H,27,28,29).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45246869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).