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

C24H24FN7 — CID 21004285

IUPACN-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
SMILESFc1ccc(CNc2nc(CN3CCN(c4ncccn4)CC3)nc3ccccc23)cc1
InChIInChI=1S/C24H24FN7/c25-19-8-6-18(7-9-19)16-28-23-20-4-1-2-5-21(20)29-22(30-23)17-31-12-14-32(15-13-31)24-26-10-3-11-27-24/h1-11H,12-17H2,(H,28,29,30)
InChIKeyMSIQFIFQGZVNTK-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.49
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine (PubChem CID 21004285) has the molecular formula C24H24FN7 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
PubChem CID21004285
Molecular FormulaC24H24FN7
Molecular Weight429.50 g/mol
Exact Mass429.21
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
SMILESFc1ccc(CNc2nc(CN3CCN(c4ncccn4)CC3)nc3ccccc23)cc1
InChIInChI=1S/C24H24FN7/c25-19-8-6-18(7-9-19)16-28-23-20-4-1-2-5-21(20)29-22(30-23)17-31-12-14-32(15-13-31)24-26-10-3-11-27-24/h1-11H,12-17H2,(H,28,29,30)
InChIKeyMSIQFIFQGZVNTK-UHFFFAOYSA-N
XLogP3.49
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine
CID 118722361
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 71690843
N-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 21004296
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
CID 91963464
4-[[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide
CID 21004190
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
1,5-dimethyl-2-phenyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]pyrazol-3-one
CID 21004329
4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891536
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 21004355
N-(1,3-benzodioxol-5-ylmethyl)-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
CID 21004066
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963616
2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963512

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine (CID 21004285) is N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine is Fc1ccc(CNc2nc(CN3CCN(c4ncccn4)CC3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
The InChIKey is MSIQFIFQGZVNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7/c25-19-8-6-18(7-9-19)16-28-23-20-4-1-2-5-21(20)29-22(30-23)17-31-12-14-32(15-13-31)24-26-10-3-11-27-24/h1-11H,12-17H2,(H,28,29,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine?
N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine has a molecular weight of 429.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 21004285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).