[4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol

C17H18N6O — CID 11809438

IUPAC[4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ncnc4ccccc34)CC2)n1
InChIInChI=1S/C17H18N6O/c24-11-15-18-6-5-16(21-15)22-7-9-23(10-8-22)17-13-3-1-2-4-14(13)19-12-20-17/h1-6,12,24H,7-11H2
InChIKeyJSBUGUHXQOIJTL-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.24
Rot. Bonds3

About [4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol

[4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol (PubChem CID 11809438) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is [4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
PubChem CID11809438
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name[4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ncnc4ccccc34)CC2)n1
InChIInChI=1S/C17H18N6O/c24-11-15-18-6-5-16(21-15)22-7-9-23(10-8-22)17-13-3-1-2-4-14(13)19-12-20-17/h1-6,12,24H,7-11H2
InChIKeyJSBUGUHXQOIJTL-UHFFFAOYSA-N
XLogP1.24
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The IUPAC name of [4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol (CID 11809438) is [4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The canonical SMILES for [4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol is OCc1nccc(N2CCN(c3ncnc4ccccc34)CC2)n1.
What is the InChIKey of [4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The InChIKey is JSBUGUHXQOIJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-11-15-18-6-5-16(21-15)22-7-9-23(10-8-22)17-13-3-1-2-4-14(13)19-12-20-17/h1-6,12,24H,7-11H2.
What are the key properties of [4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
[4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol has a molecular weight of 322.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol is sourced from PubChem (CID 11809438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).