4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine

C24H27N3O4 — CID 177249845

IUPAC4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCO/C=C/c1cnc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc1OC
InChIInChI=1S/C24H27N3O4/c1-28-14-13-20-15-25-24(26-23(20)31-4)27(16-18-5-9-21(29-2)10-6-18)17-19-7-11-22(30-3)12-8-19/h5-15H,16-17H2,1-4H3/b14-13+
InChIKeyBOCRYYMTYHWSQM-BUHFOSPRSA-N
MW421.50 g/mol
LogP4.33
Rot. Bonds10

About 4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine

4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 177249845) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID177249845
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCO/C=C/c1cnc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc1OC
InChIInChI=1S/C24H27N3O4/c1-28-14-13-20-15-25-24(26-23(20)31-4)27(16-18-5-9-21(29-2)10-6-18)17-19-7-11-22(30-3)12-8-19/h5-15H,16-17H2,1-4H3/b14-13+
InChIKeyBOCRYYMTYHWSQM-BUHFOSPRSA-N
XLogP4.33
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-5-prop-1-ynylpyrimidin-2-amine
CID 164907972
5-(3,3-difluoropropoxy)-4-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 164908203
6-chloro-5-methoxy-N,N-bis[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 170733731
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
5-(2,2-difluoroethoxy)-4,6-dimethoxy-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 164908191
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
CID 106998746
ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
CID 110180031
4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548209

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine (CID 177249845) is 4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine is CO/C=C/c1cnc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)nc1OC.
What is the InChIKey of 4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is BOCRYYMTYHWSQM-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-28-14-13-20-15-25-24(26-23(20)31-4)27(16-18-5-9-21(29-2)10-6-18)17-19-7-11-22(30-3)12-8-19/h5-15H,16-17H2,1-4H3/b14-13+.
What are the key properties of 4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 421.50 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[(E)-2-methoxyethenyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 177249845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).