4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine

C22H26N4O — CID 112932545

IUPAC4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2cccc(OC)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-3-13-24-22-25-20(18-9-5-4-6-10-18)16-21(26-22)23-14-12-17-8-7-11-19(15-17)27-2/h4-11,15-16H,3,12-14H2,1-2H3,(H2,23,24,25,26)
InChIKeyYFMLFYACDGGFEA-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.63
Rot. Bonds9

About 4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine

4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 112932545) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID112932545
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCc2cccc(OC)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-3-13-24-22-25-20(18-9-5-4-6-10-18)16-21(26-22)23-14-12-17-8-7-11-19(15-17)27-2/h4-11,15-16H,3,12-14H2,1-2H3,(H2,23,24,25,26)
InChIKeyYFMLFYACDGGFEA-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935811
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935017
4-N-butyl-2-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112933559
N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934109
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966285
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
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
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851276
5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939915
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932435

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine (CID 112932545) is 4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(NCCc2cccc(OC)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is YFMLFYACDGGFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-13-24-22-25-20(18-9-5-4-6-10-18)16-21(26-22)23-14-12-17-8-7-11-19(15-17)27-2/h4-11,15-16H,3,12-14H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-methoxyphenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).