6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine

C16H21N3O — CID 62192683

IUPAC6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2ccccc2OC)n1
InChIInChI=1S/C16H21N3O/c1-16(2,3)13-10-14(17-4)19-15(18-13)11-8-6-7-9-12(11)20-5/h6-10H,1-5H3,(H,17,18,19)
InChIKeyXRKGIIIRZCSLLB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.49
Rot. Bonds3

About 6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine

6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine (PubChem CID 62192683) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
PubChem CID62192683
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2ccccc2OC)n1
InChIInChI=1S/C16H21N3O/c1-16(2,3)13-10-14(17-4)19-15(18-13)11-8-6-7-9-12(11)20-5/h6-10H,1-5H3,(H,17,18,19)
InChIKeyXRKGIIIRZCSLLB-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine (CID 62192683) is 6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(-c2ccccc2OC)n1.
What is the InChIKey of 6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is XRKGIIIRZCSLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)13-10-14(17-4)19-15(18-13)11-8-6-7-9-12(11)20-5/h6-10H,1-5H3,(H,17,18,19).
What are the key properties of 6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine?
6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62192683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).