2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine

C15H21N5 — CID 43607087

IUPAC2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine
SMILESCN(Cc1nc(N)c2ccccc2n1)C1CCNCC1
InChIInChI=1S/C15H21N5/c1-20(11-6-8-17-9-7-11)10-14-18-13-5-3-2-4-12(13)15(16)19-14/h2-5,11,17H,6-10H2,1H3,(H2,16,18,19)
InChIKeyIKKDCXLEBDMTSN-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.40
Rot. Bonds3

About 2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine

2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine (PubChem CID 43607087) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine
PubChem CID43607087
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine
SMILESCN(Cc1nc(N)c2ccccc2n1)C1CCNCC1
InChIInChI=1S/C15H21N5/c1-20(11-6-8-17-9-7-11)10-14-18-13-5-3-2-4-12(13)15(16)19-14/h2-5,11,17H,6-10H2,1H3,(H2,16,18,19)
InChIKeyIKKDCXLEBDMTSN-UHFFFAOYSA-N
XLogP1.40
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine (CID 43607087) is 2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine is CN(Cc1nc(N)c2ccccc2n1)C1CCNCC1.
What is the InChIKey of 2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine?
The InChIKey is IKKDCXLEBDMTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-20(11-6-8-17-9-7-11)10-14-18-13-5-3-2-4-12(13)15(16)19-14/h2-5,11,17H,6-10H2,1H3,(H2,16,18,19).
What are the key properties of 2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine?
2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine has a molecular weight of 271.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(piperidin-4-yl)amino]methyl]quinazolin-4-amine is sourced from PubChem (CID 43607087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).