4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine

C14H17N3O3 — CID 175987067

IUPAC4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(Cc2ccnc(N)n2)cc(OC)c1OC
InChIInChI=1S/C14H17N3O3/c1-18-11-7-9(8-12(19-2)13(11)20-3)6-10-4-5-16-14(15)17-10/h4-5,7-8H,6H2,1-3H3,(H2,15,16,17)
InChIKeyRYLLNAHVCCUVDU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.68
Rot. Bonds5

About 4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine

4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 175987067) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID175987067
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(Cc2ccnc(N)n2)cc(OC)c1OC
InChIInChI=1S/C14H17N3O3/c1-18-11-7-9(8-12(19-2)13(11)20-3)6-10-4-5-16-14(15)17-10/h4-5,7-8H,6H2,1-3H3,(H2,15,16,17)
InChIKeyRYLLNAHVCCUVDU-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

4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine
CID 67521020
4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 12655207
1,3-oxazole;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 67721896
4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
CID 142928408
benzoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71329105
5-[[3-(ethoxymethoxy)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 101196638
[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
CID 70937972
5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 12752257
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 628127
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 14042005
7-ethoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinolin-8-amine
CID 71533224

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine (CID 175987067) is 4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine is COc1cc(Cc2ccnc(N)n2)cc(OC)c1OC.
What is the InChIKey of 4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is RYLLNAHVCCUVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-18-11-7-9(8-12(19-2)13(11)20-3)6-10-4-5-16-14(15)17-10/h4-5,7-8H,6H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-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 4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 175987067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).