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

C15H19N3O2 — CID 66324894

IUPAC6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCc2ccc(OC)cc2)ncn1
InChIInChI=1S/C15H19N3O2/c1-3-20-15-10-14(17-11-18-15)16-9-8-12-4-6-13(19-2)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyVJYITIFLOHQEMU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.54
Rot. Bonds7

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

6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 66324894) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID66324894
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCc2ccc(OC)cc2)ncn1
InChIInChI=1S/C15H19N3O2/c1-3-20-15-10-14(17-11-18-15)16-9-8-12-4-6-13(19-2)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyVJYITIFLOHQEMU-UHFFFAOYSA-N
XLogP2.54
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
6-(2-aminoethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 56715548
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112862520
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine
CID 117084589
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861690
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66319401

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 66324894) is 6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is CCOc1cc(NCCc2ccc(OC)cc2)ncn1.
What is the InChIKey of 6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is VJYITIFLOHQEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-20-15-10-14(17-11-18-15)16-9-8-12-4-6-13(19-2)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 66324894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).