N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine

C24H25N7 — CID 71690843

IUPACN-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
SMILESCc1ccc(CNc2nc(N3CCN(c4ncccn4)CC3)nc3ccccc23)cc1
InChIInChI=1S/C24H25N7/c1-18-7-9-19(10-8-18)17-27-22-20-5-2-3-6-21(20)28-24(29-22)31-15-13-30(14-16-31)23-25-11-4-12-26-23/h2-12H,13-17H2,1H3,(H,27,28,29)
InChIKeyMDBXDNRFEJSZRR-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.67
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine

N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 71690843) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
PubChem CID71690843
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC NameN-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
SMILESCc1ccc(CNc2nc(N3CCN(c4ncccn4)CC3)nc3ccccc23)cc1
InChIInChI=1S/C24H25N7/c1-18-7-9-19(10-8-18)17-27-22-20-5-2-3-6-21(20)28-24(29-22)31-15-13-30(14-16-31)23-25-11-4-12-26-23/h2-12H,13-17H2,1H3,(H,27,28,29)
InChIKeyMDBXDNRFEJSZRR-UHFFFAOYSA-N
XLogP3.67
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963616
4-methyl-N-[4-[[[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzenesulfonamide
CID 56953909
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52996241
N-benzyl-2-(4-ethylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 25144317
N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 21004285
N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine
CID 68721936
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 25144877
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
CID 91963464
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine
CID 71690658

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine (CID 71690843) is N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine is Cc1ccc(CNc2nc(N3CCN(c4ncccn4)CC3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is MDBXDNRFEJSZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c1-18-7-9-19(10-8-18)17-27-22-20-5-2-3-6-21(20)28-24(29-22)31-15-13-30(14-16-31)23-25-11-4-12-26-23/h2-12H,13-17H2,1H3,(H,27,28,29).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine?
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 411.51 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 71690843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).