N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine

C35H34N8 — CID 121388225

IUPACN-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine
SMILESCN(C)c1ccc(-c2cccc(C(CNc3nc(-c4cnc(N(C)C)nc4)nc4ccccc34)c3ccccc3)n2)cc1
InChIInChI=1S/C35H34N8/c1-42(2)27-19-17-25(18-20-27)30-15-10-16-32(39-30)29(24-11-6-5-7-12-24)23-36-34-28-13-8-9-14-31(28)40-33(41-34)26-21-37-35(38-22-26)43(3)4/h5-22,29H,23H2,1-4H3,(H,36,40,41)
InChIKeyXYDWNGKBUHNGQQ-UHFFFAOYSA-N
MW566.71 g/mol
LogP6.52
Rot. Bonds9

About N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine

N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine (PubChem CID 121388225) has the molecular formula C35H34N8 and a molecular weight of 566.71 g/mol. Its IUPAC name is N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine
PubChem CID121388225
Molecular FormulaC35H34N8
Molecular Weight566.71 g/mol
Exact Mass566.29
IUPAC NameN-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine
SMILESCN(C)c1ccc(-c2cccc(C(CNc3nc(-c4cnc(N(C)C)nc4)nc4ccccc34)c3ccccc3)n2)cc1
InChIInChI=1S/C35H34N8/c1-42(2)27-19-17-25(18-20-27)30-15-10-16-32(39-30)29(24-11-6-5-7-12-24)23-36-34-28-13-8-9-14-31(28)40-33(41-34)26-21-37-35(38-22-26)43(3)4/h5-22,29H,23H2,1-4H3,(H,36,40,41)
InChIKeyXYDWNGKBUHNGQQ-UHFFFAOYSA-N
XLogP6.52
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine with MolForge

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Related Compounds

2-[2-(dimethylamino)pyrimidin-5-yl]-N-[2-[6-[2-(dimethylamino)pyrimidin-5-yl]-2-pyridinyl]-2-phenylethyl]quinazolin-4-amine
CID 121377264
2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine
CID 121378075
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
2-[4-(dimethylamino)phenyl]-N-(1,2-diphenylethyl)quinazolin-4-amine
CID 121378120
N-(2,2-diphenylethyl)-2-quinolin-8-ylquinazolin-4-amine
CID 121377287
N-(2,2-diphenylethyl)-2-pyrazolo[1,5-a]pyrimidin-6-ylquinazolin-4-amine
CID 121377267
N-[4-[4-[(2-phenyl-2-pyrimidin-2-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378089
2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine
CID 121377251
N-(2,2-diphenylethyl)-2-(1H-indazol-6-yl)quinazolin-4-amine
CID 121377327
N-(2,2-diphenylethyl)-2-(2-methylisoindol-4-yl)quinazolin-4-amine
CID 121388227
2-imidazo[1,2-a]pyrimidin-6-yl-N-(2-phenyl-2-pyridin-4-ylethyl)quinazolin-4-amine
CID 121377359
N-[4-[4-[(2-phenyl-2-pyridin-3-ylethyl)amino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 121378099

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine?
The IUPAC name of N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine (CID 121388225) is N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine.
What is the SMILES notation for N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine?
The canonical SMILES for N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine is CN(C)c1ccc(-c2cccc(C(CNc3nc(-c4cnc(N(C)C)nc4)nc4ccccc34)c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine?
The InChIKey is XYDWNGKBUHNGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N8/c1-42(2)27-19-17-25(18-20-27)30-15-10-16-32(39-30)29(24-11-6-5-7-12-24)23-36-34-28-13-8-9-14-31(28)40-33(41-34)26-21-37-35(38-22-26)43(3)4/h5-22,29H,23H2,1-4H3,(H,36,40,41).
What are the key properties of N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine?
N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine has a molecular weight of 566.71 g/mol, XLogP of 6.52, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-2-phenylethyl]-2-[2-(dimethylamino)pyrimidin-5-yl]quinazolin-4-amine is sourced from PubChem (CID 121388225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).