N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine

C14H18N4O — CID 63986634

IUPACN-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine
SMILESCOc1cccc(N(C)C(CN)c2ccncn2)c1
InChIInChI=1S/C14H18N4O/c1-18(11-4-3-5-12(8-11)19-2)14(9-15)13-6-7-16-10-17-13/h3-8,10,14H,9,15H2,1-2H3
InChIKeyWXWWCBFBUZQESG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.62
Rot. Bonds5

About N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine

N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine (PubChem CID 63986634) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine
PubChem CID63986634
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine
SMILESCOc1cccc(N(C)C(CN)c2ccncn2)c1
InChIInChI=1S/C14H18N4O/c1-18(11-4-3-5-12(8-11)19-2)14(9-15)13-6-7-16-10-17-13/h3-8,10,14H,9,15H2,1-2H3
InChIKeyWXWWCBFBUZQESG-UHFFFAOYSA-N
XLogP1.62
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 63989775
N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251850
1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62135493
1-(3-chloro-4-fluorophenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 81148330
1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 102838954
N-methyl-N-pentan-3-yl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986053
N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986235
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 55141844
4-(3-methoxyphenoxy)pyrimidine
CID 140584284
4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 107541879
4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine
CID 79918567
1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 61453536

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine (CID 63986634) is N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine is COc1cccc(N(C)C(CN)c2ccncn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is WXWWCBFBUZQESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(11-4-3-5-12(8-11)19-2)14(9-15)13-6-7-16-10-17-13/h3-8,10,14H,9,15H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine?
N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 63986634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).