N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine

C25H29N3O3 — CID 92595723

IUPACN-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCOc1ccc(CN(Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@H]2CCCO2)cc1
InChIInChI=1S/C25H29N3O3/c1-29-22-9-5-19(6-10-22)16-28(18-24-4-3-13-31-24)17-20-14-26-25(27-15-20)21-7-11-23(30-2)12-8-21/h5-12,14-15,24H,3-4,13,16-18H2,1-2H3/t24-/m1/s1
InChIKeyUOMUVSOGXTYNNX-XMMPIXPASA-N
MW419.53 g/mol
LogP4.34
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine

N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 92595723) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID92595723
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCOc1ccc(CN(Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@H]2CCCO2)cc1
InChIInChI=1S/C25H29N3O3/c1-29-22-9-5-19(6-10-22)16-28(18-24-4-3-13-31-24)17-20-14-26-25(27-15-20)21-7-11-23(30-2)12-8-21/h5-12,14-15,24H,3-4,13,16-18H2,1-2H3/t24-/m1/s1
InChIKeyUOMUVSOGXTYNNX-XMMPIXPASA-N
XLogP4.34
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962866
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 171670365
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 171700489
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286
N-[(2,5-dimethoxyphenyl)methyl]-N-[(2-ethylpyrimidin-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497332
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818718
2-methoxy-5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818704
N-[(4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine
CID 125177897
3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 46954495
5-[[(2,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962834
5-[[(3,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyrimidin-2-amine
CID 16677248
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine
CID 46954471

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 92595723) is N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is COc1ccc(CN(Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@H]2CCCO2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is UOMUVSOGXTYNNX-XMMPIXPASA-N. The full InChI is InChI=1S/C25H29N3O3/c1-29-22-9-5-19(6-10-22)16-28(18-24-4-3-13-31-24)17-20-14-26-25(27-15-20)21-7-11-23(30-2)12-8-21/h5-12,14-15,24H,3-4,13,16-18H2,1-2H3/t24-/m1/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 419.53 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 92595723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).