2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine

C118H112N10 — CID 160500413

IUPAC2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine
SMILESCC(C)(C)c1cc(-c2ccccc2)nc(-c2ccccc2)n1.CC(C)(C)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.CC(C)(C)c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.CC(C)(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/3C26H24N2.2C20H20N2/c1-26(2,3)22-16-10-15-21(17-22)25-27-23(19-11-6-4-7-12-19)18-24(28-25)20-13-8-5-9-14-20;1-26(2,3)22-16-14-20(15-17-22)24-18-23(19-10-6-4-7-11-19)27-25(28-24)21-12-8-5-9-13-21;1-26(2,3)22-16-14-21(15-17-22)25-27-23(19-10-6-4-7-11-19)18-24(28-25)20-12-8-5-9-13-20;1-20(2,3)18-14-17(15-10-6-4-7-11-15)21-19(22-18)16-12-8-5-9-13-16;1-20(2,3)19-21-17(15-10-6-4-7-11-15)14-18(22-19)16-12-8-5-9-13-16/h3*4-18H,1-3H3;2*4-14H,1-3H3
InChIKeyQRSBHSUDFBAXKU-UHFFFAOYSA-N
MW1670.26 g/mol
LogP30.54
Rot. Bonds13

About 2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine

2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine (PubChem CID 160500413) has the molecular formula C118H112N10 and a molecular weight of 1670.26 g/mol. Its IUPAC name is 2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine
PubChem CID160500413
Molecular FormulaC118H112N10
Molecular Weight1670.26 g/mol
Exact Mass1668.91
IUPAC Name2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine
SMILESCC(C)(C)c1cc(-c2ccccc2)nc(-c2ccccc2)n1.CC(C)(C)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.CC(C)(C)c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.CC(C)(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/3C26H24N2.2C20H20N2/c1-26(2,3)22-16-10-15-21(17-22)25-27-23(19-11-6-4-7-12-19)18-24(28-25)20-13-8-5-9-14-20;1-26(2,3)22-16-14-20(15-17-22)24-18-23(19-10-6-4-7-11-19)27-25(28-24)21-12-8-5-9-13-21;1-26(2,3)22-16-14-21(15-17-22)25-27-23(19-10-6-4-7-11-19)18-24(28-25)20-12-8-5-9-13-20;1-20(2,3)18-14-17(15-10-6-4-7-11-15)21-19(22-18)16-12-8-5-9-13-16;1-20(2,3)19-21-17(15-10-6-4-7-11-15)14-18(22-19)16-12-8-5-9-13-16/h3*4-18H,1-3H3;2*4-14H,1-3H3
InChIKeyQRSBHSUDFBAXKU-UHFFFAOYSA-N
XLogP30.54
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001670.26
LogP ≤ 530.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine?
The IUPAC name of 2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine (CID 160500413) is 2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine?
The canonical SMILES for 2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine is CC(C)(C)c1cc(-c2ccccc2)nc(-c2ccccc2)n1.CC(C)(C)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC(C)(C)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.CC(C)(C)c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.CC(C)(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine?
The InChIKey is QRSBHSUDFBAXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H24N2.2C20H20N2/c1-26(2,3)22-16-10-15-21(17-22)25-27-23(19-11-6-4-7-12-19)18-24(28-25)20-13-8-5-9-14-20;1-26(2,3)22-16-14-20(15-17-22)24-18-23(19-10-6-4-7-11-19)27-25(28-24)21-12-8-5-9-13-21;1-26(2,3)22-16-14-21(15-17-22)25-27-23(19-10-6-4-7-11-19)18-24(28-25)20-12-8-5-9-13-20;1-20(2,3)18-14-17(15-10-6-4-7-11-15)21-19(22-18)16-12-8-5-9-13-16;1-20(2,3)19-21-17(15-10-6-4-7-11-15)14-18(22-19)16-12-8-5-9-13-16/h3*4-18H,1-3H3;2*4-14H,1-3H3.
What are the key properties of 2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine?
2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine has a molecular weight of 1670.26 g/mol, XLogP of 30.54, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 160500413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).