4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine

C14H17N3O2 — CID 165433420

IUPAC4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
SMILESCOc1ccc(CN(C)c2nccc(OC)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-17(14-15-9-8-13(16-14)19-3)10-11-4-6-12(18-2)7-5-11/h4-9H,10H2,1-3H3
InChIKeyVWVFYSGWRKKYCC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.13
Rot. Bonds5

About 4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine

4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 165433420) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
PubChem CID165433420
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
SMILESCOc1ccc(CN(C)c2nccc(OC)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-17(14-15-9-8-13(16-14)19-3)10-11-4-6-12(18-2)7-5-11/h4-9H,10H2,1-3H3
InChIKeyVWVFYSGWRKKYCC-UHFFFAOYSA-N
XLogP2.13
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 171691462
N'-(4-methoxypyrimidin-2-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 62586031
N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine
CID 26449466
N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 112813486
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 139548865
N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
CID 60875696
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760
3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876733
N-[(4-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 165435434
3-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 155123145
(2S)-3-[(4-methoxypyrimidin-2-yl)-methylamino]propane-1,2-diol
CID 75398484
N,N-bis(2-chloroethyl)-4-methoxypyrimidin-2-amine
CID 54226938

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine (CID 165433420) is 4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine is COc1ccc(CN(C)c2nccc(OC)n2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is VWVFYSGWRKKYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(14-15-9-8-13(16-14)19-3)10-11-4-6-12(18-2)7-5-11/h4-9H,10H2,1-3H3.
What are the key properties of 4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine?
4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 165433420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).