N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C17H22N4O3S — CID 74236548

IUPACN-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NCCCSCc1ccco1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H22N4O3S/c22-16(18-4-2-10-25-13-15-3-1-7-24-15)14-11-19-17(20-12-14)21-5-8-23-9-6-21/h1,3,7,11-12H,2,4-6,8-10,13H2,(H,18,22)
InChIKeyZNZDEEASYLXIHL-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.96
Rot. Bonds8

About N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 74236548) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID74236548
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NCCCSCc1ccco1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H22N4O3S/c22-16(18-4-2-10-25-13-15-3-1-7-24-15)14-11-19-17(20-12-14)21-5-8-23-9-6-21/h1,3,7,11-12H,2,4-6,8-10,13H2,(H,18,22)
InChIKeyZNZDEEASYLXIHL-UHFFFAOYSA-N
XLogP1.96
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-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-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
N-[3-(furan-2-yl)propyl]-4-morpholin-4-ylbenzamide
CID 53282150
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
(3S,5R)-N-[3-(furan-2-ylmethylsulfanyl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133109656
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254907
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18113853
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 51499028
2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109253039
2-tert-butyl-N-[3-(furan-2-ylmethylsulfanyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70734413
methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate
CID 5009139
1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607924

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 74236548) is N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is O=C(NCCCSCc1ccco1)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is ZNZDEEASYLXIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-16(18-4-2-10-25-13-15-3-1-7-24-15)14-11-19-17(20-12-14)21-5-8-23-9-6-21/h1,3,7,11-12H,2,4-6,8-10,13H2,(H,18,22).
What are the key properties of N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74236548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).