[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone

C25H25N7O — CID 53305872

IUPAC[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(Nc4ncnc5ccccc45)cc3)CC2)nc1
InChIInChI=1S/C25H25N7O/c1-2-18-15-26-25(27-16-18)32-13-11-31(12-14-32)24(33)19-7-9-20(10-8-19)30-23-21-5-3-4-6-22(21)28-17-29-23/h3-10,15-17H,2,11-14H2,1H3,(H,28,29,30)
InChIKeyOIZRDOYWGVIOFM-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.69
Rot. Bonds5

About [4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone

[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone (PubChem CID 53305872) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is [4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone
PubChem CID53305872
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone
SMILESCCc1cnc(N2CCN(C(=O)c3ccc(Nc4ncnc5ccccc45)cc3)CC2)nc1
InChIInChI=1S/C25H25N7O/c1-2-18-15-26-25(27-16-18)32-13-11-31(12-14-32)24(33)19-7-9-20(10-8-19)30-23-21-5-3-4-6-22(21)28-17-29-23/h3-10,15-17H,2,11-14H2,1H3,(H,28,29,30)
InChIKeyOIZRDOYWGVIOFM-UHFFFAOYSA-N
XLogP3.69
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-[3-(quinazolin-4-ylamino)phenyl]methanone
CID 53249003
2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
CID 21002390
[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159635
(4-methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2811138
(5-propylazocan-1-yl)-[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanone
CID 126745159
cyclohexyl 4-(quinazolin-4-ylamino)benzoate
CID 23855993
N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
CID 2501443
(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone
CID 175723152
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid
CID 21002389
N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 725428
[4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone
CID 85471593

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone?
The IUPAC name of [4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone (CID 53305872) is [4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone.
What is the SMILES notation for [4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone?
The canonical SMILES for [4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone is CCc1cnc(N2CCN(C(=O)c3ccc(Nc4ncnc5ccccc45)cc3)CC2)nc1.
What is the InChIKey of [4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone?
The InChIKey is OIZRDOYWGVIOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-2-18-15-26-25(27-16-18)32-13-11-31(12-14-32)24(33)19-7-9-20(10-8-19)30-23-21-5-3-4-6-22(21)28-17-29-23/h3-10,15-17H,2,11-14H2,1H3,(H,28,29,30).
What are the key properties of [4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone?
[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone has a molecular weight of 439.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-[4-(quinazolin-4-ylamino)phenyl]methanone is sourced from PubChem (CID 53305872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).