4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline

C17H18N6 — CID 123289394

IUPAC4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
SMILESCc1cnc(N2CCN(c3ncnc4ccccc34)CC2)nc1
InChIInChI=1S/C17H18N6/c1-13-10-18-17(19-11-13)23-8-6-22(7-9-23)16-14-4-2-3-5-15(14)20-12-21-16/h2-5,10-12H,6-9H2,1H3
InChIKeyHKXLZNQBRWPXMD-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.05
Rot. Bonds2

About 4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline

4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline (PubChem CID 123289394) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
PubChem CID123289394
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
SMILESCc1cnc(N2CCN(c3ncnc4ccccc34)CC2)nc1
InChIInChI=1S/C17H18N6/c1-13-10-18-17(19-11-13)23-8-6-22(7-9-23)16-14-4-2-3-5-15(14)20-12-21-16/h2-5,10-12H,6-9H2,1H3
InChIKeyHKXLZNQBRWPXMD-UHFFFAOYSA-N
XLogP2.05
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline (CID 123289394) is 4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline is Cc1cnc(N2CCN(c3ncnc4ccccc34)CC2)nc1.
What is the InChIKey of 4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline?
The InChIKey is HKXLZNQBRWPXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-13-10-18-17(19-11-13)23-8-6-22(7-9-23)16-14-4-2-3-5-15(14)20-12-21-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline?
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline has a molecular weight of 306.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 123289394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).