2-methyl-5-piperazin-1-ylquinazoline

C13H16N4 — CID 57444358

IUPAC2-methyl-5-piperazin-1-ylquinazoline
SMILESCc1ncc2c(N3CCNCC3)cccc2n1
InChIInChI=1S/C13H16N4/c1-10-15-9-11-12(16-10)3-2-4-13(11)17-7-5-14-6-8-17/h2-4,9,14H,5-8H2,1H3
InChIKeyMPKLQDHWNDPEOG-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.35
Rot. Bonds1

About 2-methyl-5-piperazin-1-ylquinazoline

2-methyl-5-piperazin-1-ylquinazoline (PubChem CID 57444358) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-ylquinazoline
PubChem CID57444358
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-methyl-5-piperazin-1-ylquinazoline
SMILESCc1ncc2c(N3CCNCC3)cccc2n1
InChIInChI=1S/C13H16N4/c1-10-15-9-11-12(16-10)3-2-4-13(11)17-7-5-14-6-8-17/h2-4,9,14H,5-8H2,1H3
InChIKeyMPKLQDHWNDPEOG-UHFFFAOYSA-N
XLogP1.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperazin-1-ylquinazoline?
The IUPAC name of 2-methyl-5-piperazin-1-ylquinazoline (CID 57444358) is 2-methyl-5-piperazin-1-ylquinazoline.
What is the SMILES notation for 2-methyl-5-piperazin-1-ylquinazoline?
The canonical SMILES for 2-methyl-5-piperazin-1-ylquinazoline is Cc1ncc2c(N3CCNCC3)cccc2n1.
What is the InChIKey of 2-methyl-5-piperazin-1-ylquinazoline?
The InChIKey is MPKLQDHWNDPEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-15-9-11-12(16-10)3-2-4-13(11)17-7-5-14-6-8-17/h2-4,9,14H,5-8H2,1H3.
What are the key properties of 2-methyl-5-piperazin-1-ylquinazoline?
2-methyl-5-piperazin-1-ylquinazoline has a molecular weight of 228.30 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperazin-1-ylquinazoline is sourced from PubChem (CID 57444358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).