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

C16H23N5 — CID 115304884

IUPAC2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine
SMILESCNC1(C)CCN(Cc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C16H23N5/c1-16(18-2)7-9-21(10-8-16)11-14-19-13-6-4-3-5-12(13)15(17)20-14/h3-6,18H,7-11H2,1-2H3,(H2,17,19,20)
InChIKeyCMZHWESBATYWNM-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.79
Rot. Bonds3

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

2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine (PubChem CID 115304884) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine
PubChem CID115304884
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine
SMILESCNC1(C)CCN(Cc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C16H23N5/c1-16(18-2)7-9-21(10-8-16)11-14-19-13-6-4-3-5-12(13)15(17)20-14/h3-6,18H,7-11H2,1-2H3,(H2,17,19,20)
InChIKeyCMZHWESBATYWNM-UHFFFAOYSA-N
XLogP1.79
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
CID 80702487
N,4-dimethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 115305313
2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 34700412
cis-(1R,3S)-3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065822
2-[[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 30648593
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
2-[[4-(5,6-dimethylpyridazin-3-yl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 133489031
2-[[4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 71850438
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]cyclopent-3-ene-1-carboxylic acid
CID 167806447
2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol
CID 62358015
2-[[2-(methylaminomethyl)piperidin-1-yl]methyl]quinazolin-4-amine
CID 63250159
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 37132816

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine (CID 115304884) is 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine is CNC1(C)CCN(Cc2nc(N)c3ccccc3n2)CC1.
What is the InChIKey of 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is CMZHWESBATYWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(18-2)7-9-21(10-8-16)11-14-19-13-6-4-3-5-12(13)15(17)20-14/h3-6,18H,7-11H2,1-2H3,(H2,17,19,20).
What are the key properties of 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine?
2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 115304884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).