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

C16H23N5 — CID 63250159

IUPAC2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine
SMILESCNCC1CCCCN1Cc1nc(N)c2ccccc2n1
InChIInChI=1S/C16H23N5/c1-18-10-12-6-4-5-9-21(12)11-15-19-14-8-3-2-7-13(14)16(17)20-15/h2-3,7-8,12,18H,4-6,9-11H2,1H3,(H2,17,19,20)
InChIKeyQZDYSPRNYDUKMC-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.79
Rot. Bonds4

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

2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine (PubChem CID 63250159) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine
PubChem CID63250159
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine
SMILESCNCC1CCCCN1Cc1nc(N)c2ccccc2n1
InChIInChI=1S/C16H23N5/c1-18-10-12-6-4-5-9-21(12)11-15-19-14-8-3-2-7-13(14)16(17)20-15/h2-3,7-8,12,18H,4-6,9-11H2,1H3,(H2,17,19,20)
InChIKeyQZDYSPRNYDUKMC-UHFFFAOYSA-N
XLogP1.79
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[1-(aminomethyl)cyclobutyl]piperidin-1-yl]methyl]quinazolin-4-amine
CID 136570054
2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine
CID 94032734
2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 62671549
2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine
CID 115304884
2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 63886216
N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 113328848
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol
CID 62358015
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111497187
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine
CID 116789649
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 63249109

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine (CID 63250159) is 2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine is CNCC1CCCCN1Cc1nc(N)c2ccccc2n1.
What is the InChIKey of 2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is QZDYSPRNYDUKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-18-10-12-6-4-5-9-21(12)11-15-19-14-8-3-2-7-13(14)16(17)20-15/h2-3,7-8,12,18H,4-6,9-11H2,1H3,(H2,17,19,20).
What are the key properties of 2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine?
2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 63250159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).