4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine

C23H28N4 — CID 112873142

IUPAC4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCN(Cc1ccccc1)c1cc(NCCCc2ccccc2)nc(C)n1
InChIInChI=1S/C23H28N4/c1-3-27(18-21-13-8-5-9-14-21)23-17-22(25-19(2)26-23)24-16-10-15-20-11-6-4-7-12-20/h4-9,11-14,17H,3,10,15-16,18H2,1-2H3,(H,24,25,26)
InChIKeyJFZYCIGYITYLQH-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.86
Rot. Bonds9

About 4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine

4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine (PubChem CID 112873142) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
PubChem CID112873142
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCN(Cc1ccccc1)c1cc(NCCCc2ccccc2)nc(C)n1
InChIInChI=1S/C23H28N4/c1-3-27(18-21-13-8-5-9-14-21)23-17-22(25-19(2)26-23)24-16-10-15-20-11-6-4-7-12-20/h4-9,11-14,17H,3,10,15-16,18H2,1-2H3,(H,24,25,26)
InChIKeyJFZYCIGYITYLQH-UHFFFAOYSA-N
XLogP4.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-benzyl-6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 112869350
4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867908
4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863444
4-[[6-[benzyl(ethyl)amino]-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112873203
4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112869509
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874276
4-N-benzyl-4-N-ethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112873175
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine
CID 11043367
3-[[6-[benzyl(ethyl)amino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193394
6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112871547
4-N-[(4-chlorophenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872700

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine (CID 112873142) is 4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine is CCN(Cc1ccccc1)c1cc(NCCCc2ccccc2)nc(C)n1.
What is the InChIKey of 4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The InChIKey is JFZYCIGYITYLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-3-27(18-21-13-8-5-9-14-21)23-17-22(25-19(2)26-23)24-16-10-15-20-11-6-4-7-12-20/h4-9,11-14,17H,3,10,15-16,18H2,1-2H3,(H,24,25,26).
What are the key properties of 4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine has a molecular weight of 360.51 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-ethyl-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112873142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).