3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide

C21H30N4O3S — CID 53197586

IUPAC3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1sc2c(=O)n(C3CCCCC3)cnc2c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C21H30N4O3S/c1-15-17(20(26)22-8-5-9-24-10-12-28-13-11-24)18-19(29-15)21(27)25(14-23-18)16-6-3-2-4-7-16/h14,16H,2-13H2,1H3,(H,22,26)
InChIKeyMMALPFSFSPKQQP-UHFFFAOYSA-N
MW418.56 g/mol
LogP2.72
Rot. Bonds6

About 3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide

3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 53197586) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID53197586
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC Name3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1sc2c(=O)n(C3CCCCC3)cnc2c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C21H30N4O3S/c1-15-17(20(26)22-8-5-9-24-10-12-28-13-11-24)18-19(29-15)21(27)25(14-23-18)16-6-3-2-4-7-16/h14,16H,2-13H2,1H3,(H,22,26)
InChIKeyMMALPFSFSPKQQP-UHFFFAOYSA-N
XLogP2.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3243473
4-amino-1-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 132586497
3,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55849068
2,4,5-trimethyl-N-(3-morpholin-4-ylpropyl)furan-3-carboxamide
CID 47136432
5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914
5-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4640999
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19266741
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721
[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
CID 121255435

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide (CID 53197586) is 3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide is Cc1sc2c(=O)n(C3CCCCC3)cnc2c1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is MMALPFSFSPKQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-15-17(20(26)22-8-5-9-24-10-12-28-13-11-24)18-19(29-15)21(27)25(14-23-18)16-6-3-2-4-7-16/h14,16H,2-13H2,1H3,(H,22,26).
What are the key properties of 3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide?
3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-methyl-N-(3-morpholin-4-ylpropyl)-4-oxothieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 53197586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).