N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine

C16H20N4 — CID 44522097

IUPACN-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(C2CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H20N4/c1-16(2,3)20-14-10-13(11-7-8-11)18-15(19-14)12-6-4-5-9-17-12/h4-6,9-11H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyGAHREBOYFHEFHC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.63
Rot. Bonds3

About N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine

N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 44522097) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID44522097
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(C2CC2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H20N4/c1-16(2,3)20-14-10-13(11-7-8-11)18-15(19-14)12-6-4-5-9-17-12/h4-6,9-11H,7-8H2,1-3H3,(H,18,19,20)
InChIKeyGAHREBOYFHEFHC-UHFFFAOYSA-N
XLogP3.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine (CID 44522097) is N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine is CC(C)(C)Nc1cc(C2CC2)nc(-c2ccccn2)n1.
What is the InChIKey of N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is GAHREBOYFHEFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-16(2,3)20-14-10-13(11-7-8-11)18-15(19-14)12-6-4-5-9-17-12/h4-6,9-11H,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine?
N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 44522097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).