2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine

C13H15N3O3 — CID 62202129

IUPAC2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nccc(N)n2)c(OC)c1OC
InChIInChI=1S/C13H15N3O3/c1-17-9-5-4-8(11(18-2)12(9)19-3)13-15-7-6-10(14)16-13/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyVMCJLFZZAXHATB-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.75
Rot. Bonds4

About 2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine

2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine (PubChem CID 62202129) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
PubChem CID62202129
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nccc(N)n2)c(OC)c1OC
InChIInChI=1S/C13H15N3O3/c1-17-9-5-4-8(11(18-2)12(9)19-3)13-15-7-6-10(14)16-13/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyVMCJLFZZAXHATB-UHFFFAOYSA-N
XLogP1.75
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine (CID 62202129) is 2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine is COc1ccc(-c2nccc(N)n2)c(OC)c1OC.
What is the InChIKey of 2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is VMCJLFZZAXHATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-17-9-5-4-8(11(18-2)12(9)19-3)13-15-7-6-10(14)16-13/h4-7H,1-3H3,(H2,14,15,16).
What are the key properties of 2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine?
2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 261.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62202129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).