N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

C12H16BrN5 — CID 83189716

IUPACN-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-n2cc(Br)cn2)ncc1CNC(C)C
InChIInChI=1S/C12H16BrN5/c1-8(2)14-4-10-5-15-12(17-9(10)3)18-7-11(13)6-16-18/h5-8,14H,4H2,1-3H3
InChIKeyOBRAMPCYDJQEQT-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.23
Rot. Bonds4

About N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83189716) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83189716
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC NameN-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-n2cc(Br)cn2)ncc1CNC(C)C
InChIInChI=1S/C12H16BrN5/c1-8(2)14-4-10-5-15-12(17-9(10)3)18-7-11(13)6-16-18/h5-8,14H,4H2,1-3H3
InChIKeyOBRAMPCYDJQEQT-UHFFFAOYSA-N
XLogP2.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (CID 83189716) is N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(-n2cc(Br)cn2)ncc1CNC(C)C.
What is the InChIKey of N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is OBRAMPCYDJQEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-8(2)14-4-10-5-15-12(17-9(10)3)18-7-11(13)6-16-18/h5-8,14H,4H2,1-3H3.
What are the key properties of N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 310.20 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83189716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).