N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine

C15H20N4 — CID 80767148

IUPACN-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine
SMILESCNc1nc(N2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C15H20N4/c1-11-7-9-19(10-8-11)14-12-5-3-4-6-13(12)17-15(16-2)18-14/h3-6,11H,7-10H2,1-2H3,(H,16,17,18)
InChIKeyJCLFOUTXLKGOPU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.91
Rot. Bonds2

About N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine

N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine (PubChem CID 80767148) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine
PubChem CID80767148
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine
SMILESCNc1nc(N2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C15H20N4/c1-11-7-9-19(10-8-11)14-12-5-3-4-6-13(12)17-15(16-2)18-14/h3-6,11H,7-10H2,1-2H3,(H,16,17,18)
InChIKeyJCLFOUTXLKGOPU-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine?
The IUPAC name of N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine (CID 80767148) is N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine.
What is the SMILES notation for N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine?
The canonical SMILES for N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine is CNc1nc(N2CCC(C)CC2)c2ccccc2n1.
What is the InChIKey of N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine?
The InChIKey is JCLFOUTXLKGOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-7-9-19(10-8-11)14-12-5-3-4-6-13(12)17-15(16-2)18-14/h3-6,11H,7-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine?
N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine is sourced from PubChem (CID 80767148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).