2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine

C22H26N4O — CID 112935189

IUPAC2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(NCCCOC)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-3-17-10-7-8-13-19(17)24-22-25-20(18-11-5-4-6-12-18)16-21(26-22)23-14-9-15-27-2/h4-8,10-13,16H,3,9,14-15H2,1-2H3,(H2,23,24,25,26)
InChIKeyXXKHSZQEOOSVDT-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.90
Rot. Bonds9

About 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine

2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112935189) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112935189
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1nc(NCCCOC)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-3-17-10-7-8-13-19(17)24-22-25-20(18-11-5-4-6-12-18)16-21(26-22)23-14-9-15-27-2/h4-8,10-13,16H,3,9,14-15H2,1-2H3,(H2,23,24,25,26)
InChIKeyXXKHSZQEOOSVDT-UHFFFAOYSA-N
XLogP4.90
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886080
2-N-(4-tert-butylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935198
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935216
2-N-(3-chlorophenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935202
4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935316
4-N-(3-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935319
N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365071
4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935315
2-N-(4-bromophenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934933
2-N-(4-ethoxyphenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934938
4-N-(3-methoxyphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935328
4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937314

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine (CID 112935189) is 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine is CCc1ccccc1Nc1nc(NCCCOC)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is XXKHSZQEOOSVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-17-10-7-8-13-19(17)24-22-25-20(18-11-5-4-6-12-18)16-21(26-22)23-14-9-15-27-2/h4-8,10-13,16H,3,9,14-15H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112935189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).