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

C21H24N4O — CID 112895278

IUPAC4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(NCCc2cccc(OC)c2)n1
InChIInChI=1S/C21H24N4O/c1-3-25(18-9-5-4-6-10-18)20-13-15-23-21(24-20)22-14-12-17-8-7-11-19(16-17)26-2/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,22,23,24)
InChIKeyGIZPPVAIZMEMHY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.30
Rot. Bonds8

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

4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112895278) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112895278
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(NCCc2cccc(OC)c2)n1
InChIInChI=1S/C21H24N4O/c1-3-25(18-9-5-4-6-10-18)20-13-15-23-21(24-20)22-14-12-17-8-7-11-19(16-17)26-2/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,22,23,24)
InChIKeyGIZPPVAIZMEMHY-UHFFFAOYSA-N
XLogP4.30
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172872
N,N-diethyl-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308681
4-N-tert-butyl-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895252
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112901442
4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902949
N-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112895248
4-N-(4-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895302
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895475
6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372149
2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107854625
4-N-(2-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895300

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine (CID 112895278) is 4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine is CCN(c1ccccc1)c1ccnc(NCCc2cccc(OC)c2)n1.
What is the InChIKey of 4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is GIZPPVAIZMEMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-25(18-9-5-4-6-10-18)20-13-15-23-21(24-20)22-14-12-17-8-7-11-19(16-17)26-2/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112895278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).