2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

C22H25N3O2 — CID 11646256

IUPAC2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(NCCc2ccc(OC)cc2)cc(-c2cccc(OC)c2)n1
InChIInChI=1S/C22H25N3O2/c1-4-21-24-20(17-6-5-7-19(14-17)27-3)15-22(25-21)23-13-12-16-8-10-18(26-2)11-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,24,25)
InChIKeyUHCMTJMNYLBSAI-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.38
Rot. Bonds8

About 2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 11646256) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID11646256
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(NCCc2ccc(OC)cc2)cc(-c2cccc(OC)c2)n1
InChIInChI=1S/C22H25N3O2/c1-4-21-24-20(17-6-5-7-19(14-17)27-3)15-22(25-21)23-13-12-16-8-10-18(26-2)11-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,24,25)
InChIKeyUHCMTJMNYLBSAI-UHFFFAOYSA-N
XLogP4.38
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Verubulin
CID 11414799
Zotiraciclib
CID 16739650
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
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
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
5-(3-(2,5-Dimethoxyphenyl)prop-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine
CID 25058133
5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 25093369
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 2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 11646256) is 2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is CCc1nc(NCCc2ccc(OC)cc2)cc(-c2cccc(OC)c2)n1.
What is the InChIKey of 2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is UHCMTJMNYLBSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-21-24-20(17-6-5-7-19(14-17)27-3)15-22(25-21)23-13-12-16-8-10-18(26-2)11-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,24,25).
What are the key properties of 2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 363.46 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 11646256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).