6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline

C17H18N6 — CID 126894296

IUPAC6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
SMILESCc1cc(N2CCN(c3ccc4ncncc4c3)CC2)ncn1
InChIInChI=1S/C17H18N6/c1-13-8-17(21-12-19-13)23-6-4-22(5-7-23)15-2-3-16-14(9-15)10-18-11-20-16/h2-3,8-12H,4-7H2,1H3
InChIKeyDCEMAZWTXQVGDN-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.05
Rot. Bonds2

About 6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline

6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline (PubChem CID 126894296) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
PubChem CID126894296
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
SMILESCc1cc(N2CCN(c3ccc4ncncc4c3)CC2)ncn1
InChIInChI=1S/C17H18N6/c1-13-8-17(21-12-19-13)23-6-4-22(5-7-23)15-2-3-16-14(9-15)10-18-11-20-16/h2-3,8-12H,4-7H2,1H3
InChIKeyDCEMAZWTXQVGDN-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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Related Compounds

4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
4-methyl-6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 155975470
6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894515
6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline
CID 126894256
6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline
CID 126894249
(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894138
6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline
CID 126894311
3-(4-quinazolin-6-ylpiperazin-1-yl)-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazine 6,6-dioxide
CID 126894579
N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide
CID 126894221
1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol
CID 126894524
2-tert-butyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 171690568
1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol
CID 126894549

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline (CID 126894296) is 6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline is Cc1cc(N2CCN(c3ccc4ncncc4c3)CC2)ncn1.
What is the InChIKey of 6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline?
The InChIKey is DCEMAZWTXQVGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-13-8-17(21-12-19-13)23-6-4-22(5-7-23)15-2-3-16-14(9-15)10-18-11-20-16/h2-3,8-12H,4-7H2,1H3.
What are the key properties of 6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline?
6-[4-(6-methylpyrimidin-4-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 6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 126894296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).