N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine

C19H20N4 — CID 14347063

IUPACN-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
SMILESCC(C)(C)c1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H20N4/c1-19(2,3)15-6-8-16(9-7-15)22-18-21-12-10-17(23-18)14-5-4-11-20-13-14/h4-13H,1-3H3,(H,21,22,23)
InChIKeyCOYUUWRCFYSLOZ-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.58
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine

N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 14347063) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID14347063
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC NameN-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
SMILESCC(C)(C)c1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H20N4/c1-19(2,3)15-6-8-16(9-7-15)22-18-21-12-10-17(23-18)14-5-4-11-20-13-14/h4-13H,1-3H3,(H,21,22,23)
InChIKeyCOYUUWRCFYSLOZ-UHFFFAOYSA-N
XLogP4.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine (CID 14347063) is N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine is CC(C)(C)c1ccc(Nc2nccc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is COYUUWRCFYSLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-19(2,3)15-6-8-16(9-7-15)22-18-21-12-10-17(23-18)14-5-4-11-20-13-14/h4-13H,1-3H3,(H,21,22,23).
What are the key properties of N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine?
N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 304.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 14347063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).