1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine

C16H22N4O2 — CID 47012924

IUPAC1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(CNc2nccc(OC)n2)N(C)C)cc1
InChIInChI=1S/C16H22N4O2/c1-20(2)14(12-5-7-13(21-3)8-6-12)11-18-16-17-10-9-15(19-16)22-4/h5-10,14H,11H2,1-4H3,(H,17,18,19)
InChIKeyDRFZRWGPNMQLFG-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.21
Rot. Bonds7

About 1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine

1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 47012924) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID47012924
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(CNc2nccc(OC)n2)N(C)C)cc1
InChIInChI=1S/C16H22N4O2/c1-20(2)14(12-5-7-13(21-3)8-6-12)11-18-16-17-10-9-15(19-16)22-4/h5-10,14H,11H2,1-4H3,(H,17,18,19)
InChIKeyDRFZRWGPNMQLFG-UHFFFAOYSA-N
XLogP2.21
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine 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

N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 102555419
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine
CID 82538540
N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 65036818
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine
CID 56684317
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 66089762
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
CID 133289929
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine (CID 47012924) is 1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine is COc1ccc(C(CNc2nccc(OC)n2)N(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is DRFZRWGPNMQLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-20(2)14(12-5-7-13(21-3)8-6-12)11-18-16-17-10-9-15(19-16)22-4/h5-10,14H,11H2,1-4H3,(H,17,18,19).
What are the key properties of 1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine?
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 302.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 47012924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).