2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine

C19H27N5 — CID 136570054

IUPAC2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine
SMILESNCC1(C2CCCCN2Cc2nc(N)c3ccccc3n2)CCC1
InChIInChI=1S/C19H27N5/c20-13-19(9-5-10-19)16-8-3-4-11-24(16)12-17-22-15-7-2-1-6-14(15)18(21)23-17/h1-2,6-7,16H,3-5,8-13,20H2,(H2,21,22,23)
InChIKeyBSWUCVUEJKWACP-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.70
Rot. Bonds4

About 2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine

2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine (PubChem CID 136570054) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine
PubChem CID136570054
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine
SMILESNCC1(C2CCCCN2Cc2nc(N)c3ccccc3n2)CCC1
InChIInChI=1S/C19H27N5/c20-13-19(9-5-10-19)16-8-3-4-11-24(16)12-17-22-15-7-2-1-6-14(15)18(21)23-17/h1-2,6-7,16H,3-5,8-13,20H2,(H2,21,22,23)
InChIKeyBSWUCVUEJKWACP-UHFFFAOYSA-N
XLogP2.70
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine (CID 136570054) is 2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine is NCC1(C2CCCCN2Cc2nc(N)c3ccccc3n2)CCC1.
What is the InChIKey of 2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is BSWUCVUEJKWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c20-13-19(9-5-10-19)16-8-3-4-11-24(16)12-17-22-15-7-2-1-6-14(15)18(21)23-17/h1-2,6-7,16H,3-5,8-13,20H2,(H2,21,22,23).
What are the key properties of 2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine?
2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 136570054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).