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

C13H16N4 — CID 12764713

IUPACN-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCC(C)(C)Nc1ccnc(-c2ccncc2)n1
InChIInChI=1S/C13H16N4/c1-13(2,3)17-11-6-9-15-12(16-11)10-4-7-14-8-5-10/h4-9H,1-3H3,(H,15,16,17)
InChIKeyGVDHZFJYZKAQNS-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.75
Rot. Bonds2

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

N-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 12764713) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID12764713
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCC(C)(C)Nc1ccnc(-c2ccncc2)n1
InChIInChI=1S/C13H16N4/c1-13(2,3)17-11-6-9-15-12(16-11)10-4-7-14-8-5-10/h4-9H,1-3H3,(H,15,16,17)
InChIKeyGVDHZFJYZKAQNS-UHFFFAOYSA-N
XLogP2.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine (CID 12764713) is N-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine is CC(C)(C)Nc1ccnc(-c2ccncc2)n1.
What is the InChIKey of N-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is GVDHZFJYZKAQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-13(2,3)17-11-6-9-15-12(16-11)10-4-7-14-8-5-10/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of N-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine?
N-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 12764713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).