2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol

C20H21N3O3 — CID 135509970

IUPAC2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol
SMILESCOc1ccc(CCNc2cc(-c3ccccc3O)nc(OC)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-15-9-7-14(8-10-15)11-12-21-19-13-17(22-20(23-19)26-2)16-5-3-4-6-18(16)24/h3-10,13,24H,11-12H2,1-2H3,(H,21,22,23)
InChIKeyAAYUCSUEYKDIEG-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.52
Rot. Bonds7

About 2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol

2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol (PubChem CID 135509970) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol
PubChem CID135509970
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol
SMILESCOc1ccc(CCNc2cc(-c3ccccc3O)nc(OC)n2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-15-9-7-14(8-10-15)11-12-21-19-13-17(22-20(23-19)26-2)16-5-3-4-6-18(16)24/h3-10,13,24H,11-12H2,1-2H3,(H,21,22,23)
InChIKeyAAYUCSUEYKDIEG-UHFFFAOYSA-N
XLogP3.52
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]acetonitrile
CID 53321838
2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine
CID 141138699
4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide
CID 143652230
3-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenoxy]-3-methylbutan-2-one
CID 58990372
2-[5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]acetaldehyde
CID 87701360
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrimidin-4-amine
CID 11625845
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-[(E)-4-methyliminopent-2-en-2-yl]phenyl]pyrimidin-4-amine
CID 143652183
(NE)-N-[[2-methoxy-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methylidene]hydroxylamine
CID 11625660
N-[[2-methoxy-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methylidene]hydroxylamine
CID 73033762
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112874289
1-hydroxy-4-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenoxy]-4-methylpentan-3-one
CID 67962826
acetylene;N,N-dimethylethanamine;2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(3-prop-1-en-2-ylphenyl)pyrimidin-4-amine
CID 143652148

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol (CID 135509970) is 2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol is COc1ccc(CCNc2cc(-c3ccccc3O)nc(OC)n2)cc1.
What is the InChIKey of 2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol?
The InChIKey is AAYUCSUEYKDIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-15-9-7-14(8-10-15)11-12-21-19-13-17(22-20(23-19)26-2)16-5-3-4-6-18(16)24/h3-10,13,24H,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol?
2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol has a molecular weight of 351.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135509970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).