1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone

C22H23N3O3 — CID 67294293

IUPAC1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(C(C)=O)cn2)cc1
InChIInChI=1S/C22H23N3O3/c1-16(26)19-12-23-22(24-13-19)25(14-17-4-8-20(27-2)9-5-17)15-18-6-10-21(28-3)11-7-18/h4-13H,14-15H2,1-3H3
InChIKeyIGPAQPJOYZFVHT-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.90
Rot. Bonds8

About 1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone

1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone (PubChem CID 67294293) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
PubChem CID67294293
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(C(C)=O)cn2)cc1
InChIInChI=1S/C22H23N3O3/c1-16(26)19-12-23-22(24-13-19)25(14-17-4-8-20(27-2)9-5-17)15-18-6-10-21(28-3)11-7-18/h4-13H,14-15H2,1-3H3
InChIKeyIGPAQPJOYZFVHT-UHFFFAOYSA-N
XLogP3.90
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
tert-butyl 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]piperazine-1-carboxylate
CID 118221132
[(2-aminopyrimidin-5-yl)-hydroxy-phosphonomethyl]phosphonic acid;2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidine-5-carbonyl chloride;2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidine-5-carboxylic acid;[[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-hydroxy-phosphonomethyl]phosphonic acid
CID 160864152
ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
CID 110180031
[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate
CID 175409490
2-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109258498
2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109256748
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine
CID 164907972
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
sodium;5-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine;5-bromopyrimidin-2-amine;1-(chloromethyl)-4-methoxybenzene;hydride
CID 157180861

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone (CID 67294293) is 1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone is COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(C(C)=O)cn2)cc1.
What is the InChIKey of 1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone?
The InChIKey is IGPAQPJOYZFVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16(26)19-12-23-22(24-13-19)25(14-17-4-8-20(27-2)9-5-17)15-18-6-10-21(28-3)11-7-18/h4-13H,14-15H2,1-3H3.
What are the key properties of 1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone?
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone has a molecular weight of 377.44 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 67294293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).