2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C21H21N7S — CID 91963616

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESc1cnc(N2CCN(c3nc(NCc4cccs4)c4ccccc4n3)CC2)nc1
InChIInChI=1S/C21H21N7S/c1-2-7-18-17(6-1)19(24-15-16-5-3-14-29-16)26-21(25-18)28-12-10-27(11-13-28)20-22-8-4-9-23-20/h1-9,14H,10-13,15H2,(H,24,25,26)
InChIKeyUMZKAIPLCCOBSE-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 91963616) has the molecular formula C21H21N7S and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID91963616
Molecular FormulaC21H21N7S
Molecular Weight403.52 g/mol
Exact Mass403.16
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESc1cnc(N2CCN(c3nc(NCc4cccs4)c4ccccc4n3)CC2)nc1
InChIInChI=1S/C21H21N7S/c1-2-7-18-17(6-1)19(24-15-16-5-3-14-29-16)26-21(25-18)28-12-10-27(11-13-28)20-22-8-4-9-23-20/h1-9,14H,10-13,15H2,(H,24,25,26)
InChIKeyUMZKAIPLCCOBSE-UHFFFAOYSA-N
XLogP3.42
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-morpholin-4-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963594
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963614
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 71690843
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52996241
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 4286982
N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
CID 59682699
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
4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963705
4-N-propyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91966295
2-(3-methylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)quinazolin-4-amine
CID 91963859

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 91963616) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is c1cnc(N2CCN(c3nc(NCc4cccs4)c4ccccc4n3)CC2)nc1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is UMZKAIPLCCOBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7S/c1-2-7-18-17(6-1)19(24-15-16-5-3-14-29-16)26-21(25-18)28-12-10-27(11-13-28)20-22-8-4-9-23-20/h1-9,14H,10-13,15H2,(H,24,25,26).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 403.52 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 91963616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).