N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C19H19N5O3 — CID 91949893

IUPACN-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C19H19N5O3/c1-12-15(16-18(27-12)22-10-23(2)19(16)26)17(25)20-8-5-9-24-11-21-13-6-3-4-7-14(13)24/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,25)
InChIKeyJIBMDNHVPOGSPQ-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.00
Rot. Bonds5

About N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91949893) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID91949893
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C19H19N5O3/c1-12-15(16-18(27-12)22-10-23(2)19(16)26)17(25)20-8-5-9-24-11-21-13-6-3-4-7-14(13)24/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,25)
InChIKeyJIBMDNHVPOGSPQ-UHFFFAOYSA-N
XLogP2.00
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.00
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

N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949989
N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 71034289
3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949873
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701077
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949856
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 31218675
N-[3-(4-bromoanilino)-3-oxopropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55952217
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91949897
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949862

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91949893) is N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCCn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JIBMDNHVPOGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12-15(16-18(27-12)22-10-23(2)19(16)26)17(25)20-8-5-9-24-11-21-13-6-3-4-7-14(13)24/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,25).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91949893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).