methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde

C25H21N7O — CID 144501483

IUPACmethanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde
SMILESCN.O=Cc1ccccc1Nc1nc(-c2cccnc2)nc2ccc(-c3cncnc3)cc12
InChIInChI=1S/C24H16N6O.CH5N/c31-14-18-4-1-2-6-21(18)28-24-20-10-16(19-12-26-15-27-13-19)7-8-22(20)29-23(30-24)17-5-3-9-25-11-17;1-2/h1-15H,(H,28,29,30);2H2,1H3
InChIKeyUQHGMXJDTYUGHG-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.28
Rot. Bonds5

About methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde

methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde (PubChem CID 144501483) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde.

Molecular Properties

Compound Namemethanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde
PubChem CID144501483
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Namemethanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde
SMILESCN.O=Cc1ccccc1Nc1nc(-c2cccnc2)nc2ccc(-c3cncnc3)cc12
InChIInChI=1S/C24H16N6O.CH5N/c31-14-18-4-1-2-6-21(18)28-24-20-10-16(19-12-26-15-27-13-19)7-8-22(20)29-23(30-24)17-5-3-9-25-11-17;1-2/h1-15H,(H,28,29,30);2H2,1H3
InChIKeyUQHGMXJDTYUGHG-UHFFFAOYSA-N
XLogP4.28
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde
CID 144501484
2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-amine
CID 71180731
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
N-[6-(4-acetylphenyl)-2-pyridin-3-ylquinazolin-4-yl]acetamide
CID 71181229
6-(4-aminophenyl)-N-propan-2-yl-2-pyridin-3-ylquinazolin-4-amine
CID 89347971
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-propylbenzamide
CID 71180520
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
formamide;6-(3-methoxyphenyl)-N-propyl-2-pyridin-3-ylquinazolin-4-amine
CID 144500701

Frequently Asked Questions

What is the IUPAC name of methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde?
The IUPAC name of methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde (CID 144501483) is methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde.
What is the SMILES notation for methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde?
The canonical SMILES for methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde is CN.O=Cc1ccccc1Nc1nc(-c2cccnc2)nc2ccc(-c3cncnc3)cc12.
What is the InChIKey of methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde?
The InChIKey is UQHGMXJDTYUGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O.CH5N/c31-14-18-4-1-2-6-21(18)28-24-20-10-16(19-12-26-15-27-13-19)7-8-22(20)29-23(30-24)17-5-3-9-25-11-17;1-2/h1-15H,(H,28,29,30);2H2,1H3.
What are the key properties of methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde?
methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde has a molecular weight of 435.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-[(2-pyridin-3-yl-6-pyrimidin-5-ylquinazolin-4-yl)amino]benzaldehyde is sourced from PubChem (CID 144501483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).