2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

C21H28N4 — CID 112885608

IUPAC2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1ccnc(NCCC2=CCCCC2)n1
InChIInChI=1S/C21H28N4/c1-16(2)18-10-6-7-11-19(18)24-20-13-15-23-21(25-20)22-14-12-17-8-4-3-5-9-17/h6-8,10-11,13,15-16H,3-5,9,12,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyRHNHWCRZYKFEOZ-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.65
Rot. Bonds7

About 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine

2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112885608) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112885608
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1ccnc(NCCC2=CCCCC2)n1
InChIInChI=1S/C21H28N4/c1-16(2)18-10-6-7-11-19(18)24-20-13-15-23-21(25-20)22-14-12-17-8-4-3-5-9-17/h6-8,10-11,13,15-16H,3-5,9,12,14H2,1-2H3,(H2,22,23,24,25)
InChIKeyRHNHWCRZYKFEOZ-UHFFFAOYSA-N
XLogP5.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine 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

4-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-2,4-diamine
CID 112885642
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112885606
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885560
2-N-[3-(dimethylamino)propyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112887815
4-N-(3-bromo-4-methylphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-2,4-diamine
CID 112885613
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112885487
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112885641
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112885543
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112885370
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112885542
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885539
2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80920603

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112885608) is 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is CC(C)c1ccccc1Nc1ccnc(NCCC2=CCCCC2)n1.
What is the InChIKey of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is RHNHWCRZYKFEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-16(2)18-10-6-7-11-19(18)24-20-13-15-23-21(25-20)22-14-12-17-8-4-3-5-9-17/h6-8,10-11,13,15-16H,3-5,9,12,14H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine?
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 336.48 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112885608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).