4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline

C21H24N6O2 — CID 126896695

IUPAC4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
SMILESc1cnc(CN2CCN(c3ccc4ncnc(OC5CCOC5)c4c3)CC2)nc1
InChIInChI=1S/C21H24N6O2/c1-5-22-20(23-6-1)13-26-7-9-27(10-8-26)16-2-3-19-18(12-16)21(25-15-24-19)29-17-4-11-28-14-17/h1-3,5-6,12,15,17H,4,7-11,13-14H2
InChIKeyDPPXAHWURGZVEL-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.91
Rot. Bonds5

About 4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline

4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline (PubChem CID 126896695) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
PubChem CID126896695
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline
SMILESc1cnc(CN2CCN(c3ccc4ncnc(OC5CCOC5)c4c3)CC2)nc1
InChIInChI=1S/C21H24N6O2/c1-5-22-20(23-6-1)13-26-7-9-27(10-8-26)16-2-3-19-18(12-16)21(25-15-24-19)29-17-4-11-28-14-17/h1-3,5-6,12,15,17H,4,7-11,13-14H2
InChIKeyDPPXAHWURGZVEL-UHFFFAOYSA-N
XLogP1.91
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2,5-oxadiazole
CID 126896702
4-[[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,2-thiazole
CID 126896722
4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126896735
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-(oxolan-3-yloxy)quinazoline
CID 126896635
3-(methoxymethyl)-5-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 126896749
1,2-oxazol-5-yl-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896594
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895365
[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 126896615
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
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
6-[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894883

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline?
The IUPAC name of 4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline (CID 126896695) is 4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline is c1cnc(CN2CCN(c3ccc4ncnc(OC5CCOC5)c4c3)CC2)nc1.
What is the InChIKey of 4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline?
The InChIKey is DPPXAHWURGZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-5-22-20(23-6-1)13-26-7-9-27(10-8-26)16-2-3-19-18(12-16)21(25-15-24-19)29-17-4-11-28-14-17/h1-3,5-6,12,15,17H,4,7-11,13-14H2.
What are the key properties of 4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline?
4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline has a molecular weight of 392.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yloxy)-6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 126896695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).