4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine

C23H28N4O — CID 112933832

IUPAC4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOc1ccccc1CCNc1cc(-c2ccccc2)nc(NCC(C)C)n1
InChIInChI=1S/C23H28N4O/c1-17(2)16-25-23-26-20(18-9-5-4-6-10-18)15-22(27-23)24-14-13-19-11-7-8-12-21(19)28-3/h4-12,15,17H,13-14,16H2,1-3H3,(H2,24,25,26,27)
InChIKeyHCFPYGDBCLMKDU-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.87
Rot. Bonds9

About 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine

4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112933832) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112933832
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOc1ccccc1CCNc1cc(-c2ccccc2)nc(NCC(C)C)n1
InChIInChI=1S/C23H28N4O/c1-17(2)16-25-23-26-20(18-9-5-4-6-10-18)15-22(27-23)24-14-13-19-11-7-8-12-21(19)28-3/h4-12,15,17H,13-14,16H2,1-3H3,(H2,24,25,26,27)
InChIKeyHCFPYGDBCLMKDU-UHFFFAOYSA-N
XLogP4.87
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(2R)-butan-2-yl]-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 124748999
4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921
4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112933760
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylbutyl)-6-phenylpyrimidine-2,4-diamine
CID 112937070
4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908693
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932408
4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932542
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933893
4-N-(2-methylpropyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112933732
2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933719
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932435
5-N-[(2-methoxyphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940487

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine (CID 112933832) is 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine is COc1ccccc1CCNc1cc(-c2ccccc2)nc(NCC(C)C)n1.
What is the InChIKey of 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is HCFPYGDBCLMKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17(2)16-25-23-26-20(18-9-5-4-6-10-18)15-22(27-23)24-14-13-19-11-7-8-12-21(19)28-3/h4-12,15,17H,13-14,16H2,1-3H3,(H2,24,25,26,27).
What are the key properties of 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 376.50 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).