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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Related Compounds

N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189565
N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine
CID 83185167
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83180428
1-[2-(4-iodopyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189340
N-[[2-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62295446
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189560
N-[[6-(4-bromopyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635837
N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185385
N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206474
N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189092
N-[[2-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83185697
2-(4-bromopyrazol-1-yl)-5-methylpyrimidine
CID 63206200

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).