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

C22H25N3O4 — CID 53323153

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(OCc3ccccc3OC)nc(OC)n2)cc1
InChIInChI=1S/C22H25N3O4/c1-26-18-10-8-16(9-11-18)12-13-23-20-14-21(25-22(24-20)28-3)29-15-17-6-4-5-7-19(17)27-2/h4-11,14H,12-13,15H2,1-3H3,(H,23,24,25)
InChIKeyHIXLPEPAQPRNNN-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.74
Rot. Bonds10

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

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine (PubChem CID 53323153) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine
PubChem CID53323153
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(OCc3ccccc3OC)nc(OC)n2)cc1
InChIInChI=1S/C22H25N3O4/c1-26-18-10-8-16(9-11-18)12-13-23-20-14-21(25-22(24-20)28-3)29-15-17-6-4-5-7-19(17)27-2/h4-11,14H,12-13,15H2,1-3H3,(H,23,24,25)
InChIKeyHIXLPEPAQPRNNN-UHFFFAOYSA-N
XLogP3.74
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Methoxy-6-(2-prop-2-enylphenoxy)pyrimidine-2-ylamine
CID 686101
4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
4-((2-(Benzylamino)-6-methylpyrimidin-4-yl)oxy)benzonitrile
CID 1927680
6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11639470
2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11646256
6-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11717787
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393161
N4-[2-(4-Fluorophenoxy)ethyl]-N6-[(1S)-(1-phenylethyl)]pyrimidine-4,6-diamine
CID 44393171
6-[3-(aminomethyl)-4-fluorophenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 53323152
4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
2-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenol
CID 135509970
N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine
CID 697245

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine (CID 53323153) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine is COc1ccc(CCNc2cc(OCc3ccccc3OC)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine?
The InChIKey is HIXLPEPAQPRNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-26-18-10-8-16(9-11-18)12-13-23-20-14-21(25-22(24-20)28-3)29-15-17-6-4-5-7-19(17)27-2/h4-11,14H,12-13,15H2,1-3H3,(H,23,24,25).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine has a molecular weight of 395.46 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 53323153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).