6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one

C23H28N6O2 — CID 126895514

IUPAC6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
SMILESCn1cnc(CN2CCN(c3ccc4ncnc(OC5CCCC5)c4c3)CC2)cc1=O
InChIInChI=1S/C23H28N6O2/c1-27-16-26-17(12-22(27)30)14-28-8-10-29(11-9-28)18-6-7-21-20(13-18)23(25-15-24-21)31-19-4-2-3-5-19/h6-7,12-13,15-16,19H,2-5,8-11,14H2,1H3
InChIKeyNPVPJSFVMHUUHZ-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.37
Rot. Bonds5

About 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one

6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one (PubChem CID 126895514) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
PubChem CID126895514
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
SMILESCn1cnc(CN2CCN(c3ccc4ncnc(OC5CCCC5)c4c3)CC2)cc1=O
InChIInChI=1S/C23H28N6O2/c1-27-16-26-17(12-22(27)30)14-28-8-10-29(11-9-28)18-6-7-21-20(13-18)23(25-15-24-21)31-19-4-2-3-5-19/h6-7,12-13,15-16,19H,2-5,8-11,14H2,1H3
InChIKeyNPVPJSFVMHUUHZ-UHFFFAOYSA-N
XLogP2.37
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one with MolForge

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Related Compounds

4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895365
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 126895349
4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896365
4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 126895433
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
4-cyclobutyloxy-6-[4-(1-methylimidazol-2-yl)sulfonylpiperazin-1-yl]quinazoline
CID 126895341
5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
CID 126895445

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one?
The IUPAC name of 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one (CID 126895514) is 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one is Cn1cnc(CN2CCN(c3ccc4ncnc(OC5CCCC5)c4c3)CC2)cc1=O.
What is the InChIKey of 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one?
The InChIKey is NPVPJSFVMHUUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-27-16-26-17(12-22(27)30)14-28-8-10-29(11-9-28)18-6-7-21-20(13-18)23(25-15-24-21)31-19-4-2-3-5-19/h6-7,12-13,15-16,19H,2-5,8-11,14H2,1H3.
What are the key properties of 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one?
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one has a molecular weight of 420.52 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 126895514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).