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

C17H21N5O3 — CID 91949886

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1nccn1CCCNC(=O)c1c(C)oc2ncn(C)c(=O)c12
InChIInChI=1S/C17H21N5O3/c1-4-12-18-7-9-22(12)8-5-6-19-15(23)13-11(2)25-16-14(13)17(24)21(3)10-20-16/h7,9-10H,4-6,8H2,1-3H3,(H,19,23)
InChIKeyNTFJFOOBKMLEMC-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.41
Rot. Bonds6

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

N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91949886) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID91949886
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1nccn1CCCNC(=O)c1c(C)oc2ncn(C)c(=O)c12
InChIInChI=1S/C17H21N5O3/c1-4-12-18-7-9-22(12)8-5-6-19-15(23)13-11(2)25-16-14(13)17(24)21(3)10-20-16/h7,9-10H,4-6,8H2,1-3H3,(H,19,23)
InChIKeyNTFJFOOBKMLEMC-UHFFFAOYSA-N
XLogP1.41
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.41
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-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949893
3,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55849068
N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949856
N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 71034289
3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91949897
3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949873
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid
CID 119223894
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-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949989
3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701077

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91949886) is N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is CCc1nccn1CCCNC(=O)c1c(C)oc2ncn(C)c(=O)c12.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is NTFJFOOBKMLEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-4-12-18-7-9-22(12)8-5-6-19-15(23)13-11(2)25-16-14(13)17(24)21(3)10-20-16/h7,9-10H,4-6,8H2,1-3H3,(H,19,23).
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91949886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).