N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C25H31N3O3 — CID 55407709

IUPACN-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NC(c1ccc(C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C25H31N3O3/c1-15(2)22(19-12-10-18(11-13-19)17-8-6-5-7-9-17)27-23(29)20-16(3)31-24-21(20)25(30)28(4)14-26-24/h10-15,17,22H,5-9H2,1-4H3,(H,27,29)
InChIKeyRDZKOEFXEAEYPB-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.01
Rot. Bonds5

About N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55407709) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID55407709
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NC(c1ccc(C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C25H31N3O3/c1-15(2)22(19-12-10-18(11-13-19)17-8-6-5-7-9-17)27-23(29)20-16(3)31-24-21(20)25(30)28(4)14-26-24/h10-15,17,22H,5-9H2,1-4H3,(H,27,29)
InChIKeyRDZKOEFXEAEYPB-UHFFFAOYSA-N
XLogP5.01
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 55407709) is N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)NC(c1ccc(C2CCCCC2)cc1)C(C)C.
What is the InChIKey of N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is RDZKOEFXEAEYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-15(2)22(19-12-10-18(11-13-19)17-8-6-5-7-9-17)27-23(29)20-16(3)31-24-21(20)25(30)28(4)14-26-24/h10-15,17,22H,5-9H2,1-4H3,(H,27,29).
What are the key properties of N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55407709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).