2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide

C22H28N4O2 — CID 68960796

IUPAC2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)NC3CC4(C)CCC3C4(C)C)n2)c1
InChIInChI=1S/C22H28N4O2/c1-21(2)16-8-10-22(21,3)13-18(16)25-19(27)17-9-11-23-20(26-17)24-14-6-5-7-15(12-14)28-4/h5-7,9,11-12,16,18H,8,10,13H2,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyWDLSFIYBVVCLJE-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.17
Rot. Bonds5

About 2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide

2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide (PubChem CID 68960796) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide
PubChem CID68960796
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)NC3CC4(C)CCC3C4(C)C)n2)c1
InChIInChI=1S/C22H28N4O2/c1-21(2)16-8-10-22(21,3)13-18(16)25-19(27)17-9-11-23-20(26-17)24-14-6-5-7-15(12-14)28-4/h5-7,9,11-12,16,18H,8,10,13H2,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyWDLSFIYBVVCLJE-UHFFFAOYSA-N
XLogP4.17
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-[4-(dimethylamino)anilino]-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide
CID 24965283
N-[2-(cyclopropanecarbonylamino)cyclohexyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 24963847
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109317648
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317646
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide (CID 68960796) is 2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide is COc1cccc(Nc2nccc(C(=O)NC3CC4(C)CCC3C4(C)C)n2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide?
The InChIKey is WDLSFIYBVVCLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-21(2)16-8-10-22(21,3)13-18(16)25-19(27)17-9-11-23-20(26-17)24-14-6-5-7-15(12-14)28-4/h5-7,9,11-12,16,18H,8,10,13H2,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide?
2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 68960796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).