4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine

C20H21ClN4O — CID 112901406

IUPAC4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1nccc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C20H21ClN4O/c1-14-6-7-18(26-2)17(12-14)24-20-23-11-9-19(25-20)22-10-8-15-4-3-5-16(21)13-15/h3-7,9,11-13H,8,10H2,1-2H3,(H2,22,23,24,25)
InChIKeyCFPVEIXEZSLBIJ-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.85
Rot. Bonds7

About 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine

4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112901406) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112901406
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1nccc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C20H21ClN4O/c1-14-6-7-18(26-2)17(12-14)24-20-23-11-9-19(25-20)22-10-8-15-4-3-5-16(21)13-15/h3-7,9,11-13H,8,10H2,1-2H3,(H2,22,23,24,25)
InChIKeyCFPVEIXEZSLBIJ-UHFFFAOYSA-N
XLogP4.85
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112901385
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112901380
4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895305
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112901460
4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112889503
methyl 2-[[4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]amino]benzoate
CID 112901419
4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890184
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902498
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
CID 112901390
2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109175999
4-N-(4-chloro-2-methylphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112903990
4-N-(2,5-dichlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905091

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine (CID 112901406) is 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine is COc1ccc(C)cc1Nc1nccc(NCCc2cccc(Cl)c2)n1.
What is the InChIKey of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is CFPVEIXEZSLBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-14-6-7-18(26-2)17(12-14)24-20-23-11-9-19(25-20)22-10-8-15-4-3-5-16(21)13-15/h3-7,9,11-13H,8,10H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine?
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 368.87 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112901406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).