4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine

C22H26N4O — CID 112880369

IUPAC4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCN(c1cccc(C)c1)c1cc(NCCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-4-26(19-12-8-9-17(2)15-19)21-16-20(23-13-14-27-3)24-22(25-21)18-10-6-5-7-11-18/h5-12,15-16H,4,13-14H2,1-3H3,(H,23,24,25)
InChIKeyLDOUKDOJAFNJDM-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.67
Rot. Bonds8

About 4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine

4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112880369) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112880369
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCN(c1cccc(C)c1)c1cc(NCCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-4-26(19-12-8-9-17(2)15-19)21-16-20(23-13-14-27-3)24-22(25-21)18-10-6-5-7-11-18/h5-12,15-16H,4,13-14H2,1-3H3,(H,23,24,25)
InChIKeyLDOUKDOJAFNJDM-UHFFFAOYSA-N
XLogP4.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112869812
N-cyclopropyl-6-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851951
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112881558
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
6-N-(2-methoxyethyl)-4-N-methyl-2-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112880263
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
6-N-(2-methoxyethyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880373
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N,2-diphenylpyrimidine-4,6-diamine
CID 112880661
6-N-(2-methoxyethyl)-2-phenyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112880243
4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880351
4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873361

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine (CID 112880369) is 4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine is CCN(c1cccc(C)c1)c1cc(NCCOC)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is LDOUKDOJAFNJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-26(19-12-8-9-17(2)15-19)21-16-20(23-13-14-27-3)24-22(25-21)18-10-6-5-7-11-18/h5-12,15-16H,4,13-14H2,1-3H3,(H,23,24,25).
What are the key properties of 4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine?
4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-(2-methoxyethyl)-4-N-(3-methylphenyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112880369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).