N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C22H28N4O2 — CID 109342707

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(Nc2cc(C(=O)NCCC3=CCCCC3)ncn2)cc1
InChIInChI=1S/C22H28N4O2/c1-16(2)28-19-10-8-18(9-11-19)26-21-14-20(24-15-25-21)22(27)23-13-12-17-6-4-3-5-7-17/h6,8-11,14-16H,3-5,7,12-13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyIGRZXVJKSFIYIW-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.63
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109342707) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109342707
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(Nc2cc(C(=O)NCCC3=CCCCC3)ncn2)cc1
InChIInChI=1S/C22H28N4O2/c1-16(2)28-19-10-8-18(9-11-19)26-21-14-20(24-15-25-21)22(27)23-13-12-17-6-4-3-5-7-17/h6,8-11,14-16H,3-5,7,12-13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyIGRZXVJKSFIYIW-UHFFFAOYSA-N
XLogP4.63
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109205510
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109183679
N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109342710
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109342721
N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342498
N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109338961
methyl 2-[[6-[2-(cyclohexen-1-yl)ethylcarbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109342715
N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109347466
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109342549
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyridine-4-carboxamide
CID 109166615
N-[2-(cyclohexen-1-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109342637
methyl 4-[[6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109342605

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109342707) is N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)Oc1ccc(Nc2cc(C(=O)NCCC3=CCCCC3)ncn2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is IGRZXVJKSFIYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16(2)28-19-10-8-18(9-11-19)26-21-14-20(24-15-25-21)22(27)23-13-12-17-6-4-3-5-7-17/h6,8-11,14-16H,3-5,7,12-13H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).