2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

C19H19ClN4O — CID 112901462

IUPAC2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(NCCc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H19ClN4O/c1-25-17-7-5-16(6-8-17)23-18-10-12-22-19(24-18)21-11-9-14-3-2-4-15(20)13-14/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23,24)
InChIKeyFJAHCKKCKCSJDP-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.54
Rot. Bonds7

About 2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112901462) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112901462
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(NCCc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H19ClN4O/c1-25-17-7-5-16(6-8-17)23-18-10-12-22-19(24-18)21-11-9-14-3-2-4-15(20)13-14/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23,24)
InChIKeyFJAHCKKCKCSJDP-UHFFFAOYSA-N
XLogP4.54
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895302
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112901452
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112901448
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895295
4-N-(3-chlorophenyl)-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112897013
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112901460
4-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895526
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112901380
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine
CID 112901485
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
4-N-[2-(3-fluorophenyl)ethyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 69185641
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 112901450

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 112901462) is 2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2ccnc(NCCc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is FJAHCKKCKCSJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-25-17-7-5-16(6-8-17)23-18-10-12-22-19(24-18)21-11-9-14-3-2-4-15(20)13-14/h2-8,10,12-13H,9,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 354.84 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112901462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).