5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine

C20H21ClN4O — CID 10090457

IUPAC5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCCc2nc(N)nc(N)c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H21ClN4O/c1-26-16-10-8-13(9-11-16)4-2-7-17-18(19(22)25-20(23)24-17)14-5-3-6-15(21)12-14/h3,5-6,8-12H,2,4,7H2,1H3,(H4,22,23,24,25)
InChIKeyNGXOWQSZWYMAKV-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.15
Rot. Bonds6

About 5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine

5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine (PubChem CID 10090457) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine
PubChem CID10090457
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCCc2nc(N)nc(N)c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H21ClN4O/c1-26-16-10-8-13(9-11-16)4-2-7-17-18(19(22)25-20(23)24-17)14-5-3-6-15(21)12-14/h3,5-6,8-12H,2,4,7H2,1H3,(H4,22,23,24,25)
InChIKeyNGXOWQSZWYMAKV-UHFFFAOYSA-N
XLogP4.15
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.15
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-[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-[(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
5-((3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl)-6-methylpyrimidine-2,4-diamine
CID 44144380
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 10172601
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 10287141

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine (CID 10090457) is 5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine is COc1ccc(CCCc2nc(N)nc(N)c2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine?
The InChIKey is NGXOWQSZWYMAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-26-16-10-8-13(9-11-16)4-2-7-17-18(19(22)25-20(23)24-17)14-5-3-6-15(21)12-14/h3,5-6,8-12H,2,4,7H2,1H3,(H4,22,23,24,25).
What are the key properties of 5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine?
5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10090457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).