N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride

C17H20ClN7 — CID 52996241

IUPACN-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
SMILESCNc1nc(N2CCN(c3ncccn3)CC2)nc2ccccc12.Cl
InChIInChI=1S/C17H19N7.ClH/c1-18-15-13-5-2-3-6-14(13)21-17(22-15)24-11-9-23(10-12-24)16-19-7-4-8-20-16;/h2-8H,9-12H2,1H3,(H,18,21,22);1H
InChIKeyVQZRXBRYPWELSA-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.21
Rot. Bonds3

About N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride

N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride (PubChem CID 52996241) has the molecular formula C17H20ClN7 and a molecular weight of 357.85 g/mol. Its IUPAC name is N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
PubChem CID52996241
Molecular FormulaC17H20ClN7
Molecular Weight357.85 g/mol
Exact Mass357.15
IUPAC NameN-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
SMILESCNc1nc(N2CCN(c3ncccn3)CC2)nc2ccccc12.Cl
InChIInChI=1S/C17H19N7.ClH/c1-18-15-13-5-2-3-6-14(13)21-17(22-15)24-11-9-23(10-12-24)16-19-7-4-8-20-16;/h2-8H,9-12H2,1H3,(H,18,21,22);1H
InChIKeyVQZRXBRYPWELSA-UHFFFAOYSA-N
XLogP2.21
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 71690843
N-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 166235366
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963616
N-methyl-2-(3-methylpiperidin-1-yl)quinazolin-4-amine
CID 56699064
2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 25178130
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine
CID 71690580
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydron;chloride
CID 660740
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 10063638
2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 2229253
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 4907991

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride (CID 52996241) is N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride is CNc1nc(N2CCN(c3ncccn3)CC2)nc2ccccc12.Cl.
What is the InChIKey of N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The InChIKey is VQZRXBRYPWELSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7.ClH/c1-18-15-13-5-2-3-6-14(13)21-17(22-15)24-11-9-23(10-12-24)16-19-7-4-8-20-16;/h2-8H,9-12H2,1H3,(H,18,21,22);1H.
What are the key properties of N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride has a molecular weight of 357.85 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 52996241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).