5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine

C14H17N3O3 — CID 14042005

IUPAC5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(Cc2cncnc2N)cc(OC)c1OC
InChIInChI=1S/C14H17N3O3/c1-18-11-5-9(6-12(19-2)13(11)20-3)4-10-7-16-8-17-14(10)15/h5-8H,4H2,1-3H3,(H2,15,16,17)
InChIKeyDFQNLCYNIJTFTG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.68
Rot. Bonds5

About 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine

5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 14042005) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID14042005
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(Cc2cncnc2N)cc(OC)c1OC
InChIInChI=1S/C14H17N3O3/c1-18-11-5-9(6-12(19-2)13(11)20-3)4-10-7-16-8-17-14(10)15/h5-8H,4H2,1-3H3,(H2,15,16,17)
InChIKeyDFQNLCYNIJTFTG-UHFFFAOYSA-N
XLogP1.68
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-oxazole;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 67721896
5-[[3-(ethoxymethoxy)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 101196638
2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 23452352
[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
CID 70937972
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenoxy]-2,2-dimethylpropanoic acid
CID 44531822
2-N-(prop-2-enoxymethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 23452389
benzoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71329105
5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 12752257
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
5-(chloromethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine
CID 18674993
2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]acetonitrile
CID 23276126

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine (CID 14042005) is 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine is COc1cc(Cc2cncnc2N)cc(OC)c1OC.
What is the InChIKey of 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is DFQNLCYNIJTFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-18-11-5-9(6-12(19-2)13(11)20-3)4-10-7-16-8-17-14(10)15/h5-8H,4H2,1-3H3,(H2,15,16,17).
What are the key properties of 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine?
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 275.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 14042005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).