N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine

C24H26N6O — CID 174691302

IUPACN-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine
SMILESCc1cccc(C)c1CNc1ccc2nc(-n3cccn3)nc(N3CCOCC3)c2c1
InChIInChI=1S/C24H26N6O/c1-17-5-3-6-18(2)21(17)16-25-19-7-8-22-20(15-19)23(29-11-13-31-14-12-29)28-24(27-22)30-10-4-9-26-30/h3-10,15,25H,11-14,16H2,1-2H3
InChIKeyDNPQAGABEJXPST-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.88
Rot. Bonds5

About N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine

N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine (PubChem CID 174691302) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine
PubChem CID174691302
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine
SMILESCc1cccc(C)c1CNc1ccc2nc(-n3cccn3)nc(N3CCOCC3)c2c1
InChIInChI=1S/C24H26N6O/c1-17-5-3-6-18(2)21(17)16-25-19-7-8-22-20(15-19)23(29-11-13-31-14-12-29)28-24(27-22)30-10-4-9-26-30/h3-10,15,25H,11-14,16H2,1-2H3
InChIKeyDNPQAGABEJXPST-UHFFFAOYSA-N
XLogP3.88
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-morpholin-4-yl-2-pyrazol-1-ylpyrido[3,2-d]pyrimidine-6-carboxylate
CID 58477140
1-[6-[(2,6-dimethylphenyl)methylamino]-7-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl]pyrazole-4-carboxylic acid
CID 66747407
3-[[(2,3-dimorpholin-4-ylquinoxalin-6-yl)amino]methyl]benzene-1,2-diol
CID 102332635
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)pyridine-2-carboxamide
CID 4662676
1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 66585720
1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 66747350
1-(4-morpholin-4-yl-2-pyrazol-1-ylpyrimidin-5-yl)ethenol
CID 163836974
4-[9-(methylsulfinylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921212
4-[9-(methylsulfonylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168921591
4-[9-(cyclopropylmethyl)-2-pyrazol-1-yl-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920940
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine (CID 174691302) is N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine is Cc1cccc(C)c1CNc1ccc2nc(-n3cccn3)nc(N3CCOCC3)c2c1.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine?
The InChIKey is DNPQAGABEJXPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-17-5-3-6-18(2)21(17)16-25-19-7-8-22-20(15-19)23(29-11-13-31-14-12-29)28-24(27-22)30-10-4-9-26-30/h3-10,15,25H,11-14,16H2,1-2H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine?
N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine has a molecular weight of 414.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-4-morpholin-4-yl-2-pyrazol-1-ylquinazolin-6-amine is sourced from PubChem (CID 174691302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).