2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine

C15H20N4 — CID 80977116

IUPAC2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2ccccn2)c1C
InChIInChI=1S/C15H20N4/c1-10-12(11-8-6-7-9-17-11)18-14(15(2,3)4)19-13(10)16-5/h6-9H,1-5H3,(H,16,18,19)
InChIKeyRALQBEYIKHIDOU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.19
Rot. Bonds2

About 2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine (PubChem CID 80977116) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine
PubChem CID80977116
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2ccccn2)c1C
InChIInChI=1S/C15H20N4/c1-10-12(11-8-6-7-9-17-11)18-14(15(2,3)4)19-13(10)16-5/h6-9H,1-5H3,(H,16,18,19)
InChIKeyRALQBEYIKHIDOU-UHFFFAOYSA-N
XLogP3.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80977836
6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 106646829
2-tert-butyl-N,5-dimethyl-6-phenoxypyrimidin-4-amine
CID 80987975
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 80981578
2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine
CID 115375469
2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 80974722
2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 81000690
2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80990005
N-methyl-4-pyridin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 112750370
2,3-dibromo-4,5-dimethyl-6-pyridin-2-ylpyridine
CID 54330183
2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine
CID 176843202
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine (CID 80977116) is 2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(-c2ccccn2)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is RALQBEYIKHIDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-12(11-8-6-7-9-17-11)18-14(15(2,3)4)19-13(10)16-5/h6-9H,1-5H3,(H,16,18,19).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80977116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).