5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride

C25H25ClN4O — CID 155539843

IUPAC5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(N)c(-c2ccccc2)c(CCc2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C25H24N4O.ClH/c26-24-23(20-12-5-2-6-13-20)21(28-25(27)29-24)16-15-19-11-7-8-14-22(19)30-17-18-9-3-1-4-10-18;/h1-14H,15-17H2,(H4,26,27,28,29);1H
InChIKeyMGHQYRSHENIEGE-UHFFFAOYSA-N
MW432.96 g/mol
LogP5.09
Rot. Bonds7

About 5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride

5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 155539843) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride
PubChem CID155539843
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(N)c(-c2ccccc2)c(CCc2ccccc2OCc2ccccc2)n1
InChIInChI=1S/C25H24N4O.ClH/c26-24-23(20-12-5-2-6-13-20)21(28-25(27)29-24)16-15-19-11-7-8-14-22(19)30-17-18-9-3-1-4-10-18;/h1-14H,15-17H2,(H4,26,27,28,29);1H
InChIKeyMGHQYRSHENIEGE-UHFFFAOYSA-N
XLogP5.09
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine
CID 10927461
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
5-(2-Fluorobenzyloxy)quinazoline-2,4-diamine
CID 24778025
5-[3-[3-(3,5-Dimethylphenyl)-5-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195124
5-[3-[3-Methoxy-5-(p-tolyl)phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195125
5-(3-{3-[(2,4-Diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 50992060
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
5-(4-{3-[(2,4-Diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 60199138
5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 25093369
5-[(3s)-3-(2-Methoxybiphenyl-4-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
CID 25195365
5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 44144378
5-((3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl)-6-methylpyrimidine-2,4-diamine
CID 44144379

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride (CID 155539843) is 5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride is Cl.Nc1nc(N)c(-c2ccccc2)c(CCc2ccccc2OCc2ccccc2)n1.
What is the InChIKey of 5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is MGHQYRSHENIEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O.ClH/c26-24-23(20-12-5-2-6-13-20)21(28-25(27)29-24)16-15-19-11-7-8-14-22(19)30-17-18-9-3-1-4-10-18;/h1-14H,15-17H2,(H4,26,27,28,29);1H.
What are the key properties of 5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride?
5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 432.96 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 155539843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).