6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine

C19H23N7O — CID 140543183

IUPAC6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
SMILESCCOc1ncc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)cn1
InChIInChI=1S/C19H23N7O/c1-3-27-19-21-12-16(13-22-19)14-4-5-17-15(10-14)11-20-18(23-17)24-26-8-6-25(2)7-9-26/h4-5,10-13H,3,6-9H2,1-2H3,(H,20,23,24)
InChIKeyTZKZUVYYYXDSCR-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.06
Rot. Bonds5

About 6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine

6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine (PubChem CID 140543183) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
PubChem CID140543183
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
SMILESCCOc1ncc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)cn1
InChIInChI=1S/C19H23N7O/c1-3-27-19-21-12-16(13-22-19)14-4-5-17-15(10-14)11-20-18(23-17)24-26-8-6-25(2)7-9-26/h4-5,10-13H,3,6-9H2,1-2H3,(H,20,23,24)
InChIKeyTZKZUVYYYXDSCR-UHFFFAOYSA-N
XLogP2.06
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The IUPAC name of 6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine (CID 140543183) is 6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine.
What is the SMILES notation for 6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The canonical SMILES for 6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine is CCOc1ncc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)cn1.
What is the InChIKey of 6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The InChIKey is TZKZUVYYYXDSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-3-27-19-21-12-16(13-22-19)14-4-5-17-15(10-14)11-20-18(23-17)24-26-8-6-25(2)7-9-26/h4-5,10-13H,3,6-9H2,1-2H3,(H,20,23,24).
What are the key properties of 6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine?
6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine is sourced from PubChem (CID 140543183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).