2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine

C30H34N4 — CID 71748028

IUPAC2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
SMILESCC1(C)CN=C(c2cccc(-c3cccc(-c4cccc(C5=NCC(C)(C)CN5)c4)c3)c2)NC1
InChIInChI=1S/C30H34N4/c1-29(2)17-31-27(32-18-29)25-12-6-10-23(15-25)21-8-5-9-22(14-21)24-11-7-13-26(16-24)28-33-19-30(3,4)20-34-28/h5-16H,17-20H2,1-4H3,(H,31,32)(H,33,34)
InChIKeyBJJTZDVUHKMQFW-UHFFFAOYSA-N
MW450.63 g/mol
LogP5.77
Rot. Bonds4

About 2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine

2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine (PubChem CID 71748028) has the molecular formula C30H34N4 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
PubChem CID71748028
Molecular FormulaC30H34N4
Molecular Weight450.63 g/mol
Exact Mass450.28
IUPAC Name2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
SMILESCC1(C)CN=C(c2cccc(-c3cccc(-c4cccc(C5=NCC(C)(C)CN5)c4)c3)c2)NC1
InChIInChI=1S/C30H34N4/c1-29(2)17-31-27(32-18-29)25-12-6-10-23(15-25)21-8-5-9-22(14-21)24-11-7-13-26(16-24)28-33-19-30(3,4)20-34-28/h5-16H,17-20H2,1-4H3,(H,31,32)(H,33,34)
InChIKeyBJJTZDVUHKMQFW-UHFFFAOYSA-N
XLogP5.77
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The IUPAC name of 2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine (CID 71748028) is 2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for 2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine is CC1(C)CN=C(c2cccc(-c3cccc(-c4cccc(C5=NCC(C)(C)CN5)c4)c3)c2)NC1.
What is the InChIKey of 2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The InChIKey is BJJTZDVUHKMQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4/c1-29(2)17-31-27(32-18-29)25-12-6-10-23(15-25)21-8-5-9-22(14-21)24-11-7-13-26(16-24)28-33-19-30(3,4)20-34-28/h5-16H,17-20H2,1-4H3,(H,31,32)(H,33,34).
What are the key properties of 2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine has a molecular weight of 450.63 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 71748028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).