N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

C14H23BrN4 — CID 63873038

IUPACN-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C14H23BrN4/c1-14(2,3)18-8-11-4-6-19(7-5-11)13-16-9-12(15)10-17-13/h9-11,18H,4-8H2,1-3H3
InChIKeyAOXGHIMEQKZTGC-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.84
Rot. Bonds3

About N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63873038) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID63873038
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC NameN-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C14H23BrN4/c1-14(2,3)18-8-11-4-6-19(7-5-11)13-16-9-12(15)10-17-13/h9-11,18H,4-8H2,1-3H3
InChIKeyAOXGHIMEQKZTGC-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (CID 63873038) is N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is AOXGHIMEQKZTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-14(2,3)18-8-11-4-6-19(7-5-11)13-16-9-12(15)10-17-13/h9-11,18H,4-8H2,1-3H3.
What are the key properties of N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 327.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63873038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).