N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C19H20ClN3O4 — CID 53209384

IUPACN-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c23)cc1Cl
InChIInChI=1S/C19H20ClN3O4/c1-10(2)8-23-9-21-18-16(19(23)25)15(11(3)27-18)17(24)22-12-5-6-14(26-4)13(20)7-12/h5-7,9-10H,8H2,1-4H3,(H,22,24)
InChIKeyLDMAFKCFBWRZKI-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.87
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53209384) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID53209384
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c23)cc1Cl
InChIInChI=1S/C19H20ClN3O4/c1-10(2)8-23-9-21-18-16(19(23)25)15(11(3)27-18)17(24)22-12-5-6-14(26-4)13(20)7-12/h5-7,9-10H,8H2,1-4H3,(H,22,24)
InChIKeyLDMAFKCFBWRZKI-UHFFFAOYSA-N
XLogP3.87
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 20925104
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 46300161
3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 29231564
N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35533144
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 22422729
2-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504057
3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide
CID 71708909
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684731
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 108993256
N-(3-chloro-4-methoxyphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311780
3-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110421424
N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 40660482

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 53209384) is N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2c(C)oc3ncn(CC(C)C)c(=O)c23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LDMAFKCFBWRZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-10(2)8-23-9-21-18-16(19(23)25)15(11(3)27-18)17(24)22-12-5-6-14(26-4)13(20)7-12/h5-7,9-10H,8H2,1-4H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53209384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).