N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C17H16IN3O3 — CID 71034289

IUPACN-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NCCc1ccc(I)cc1
InChIInChI=1S/C17H16IN3O3/c1-10-13(14-16(24-10)20-9-21(2)17(14)23)15(22)19-8-7-11-3-5-12(18)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyULBLZXOUFUVCEC-UHFFFAOYSA-N
MW437.24 g/mol
LogP2.41
Rot. Bonds4

About N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 71034289) has the molecular formula C17H16IN3O3 and a molecular weight of 437.24 g/mol. Its IUPAC name is N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID71034289
Molecular FormulaC17H16IN3O3
Molecular Weight437.24 g/mol
Exact Mass437.02
IUPAC NameN-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NCCc1ccc(I)cc1
InChIInChI=1S/C17H16IN3O3/c1-10-13(14-16(24-10)20-9-21(2)17(14)23)15(22)19-8-7-11-3-5-12(18)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyULBLZXOUFUVCEC-UHFFFAOYSA-N
XLogP2.41
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
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
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-[3-(4-bromoanilino)-3-oxopropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55952217
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35809940
2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119233863
N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949886
3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91949897
3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701077
3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949873
N-[(3-methoxy-4-propoxyphenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55635299

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 71034289) is N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCc1ccc(I)cc1.
What is the InChIKey of N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ULBLZXOUFUVCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN3O3/c1-10-13(14-16(24-10)20-9-21(2)17(14)23)15(22)19-8-7-11-3-5-12(18)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 437.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 71034289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).