5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

C13H18BrN5 — CID 146145487

IUPAC5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C(C)C)nc(NCc2cnn(C)c2)c1Br
InChIInChI=1S/C13H18BrN5/c1-8(2)12-17-9(3)11(14)13(18-12)15-5-10-6-16-19(4)7-10/h6-8H,5H2,1-4H3,(H,15,17,18)
InChIKeyVDIVGOQWRIPXAS-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.02
Rot. Bonds4

About 5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 146145487) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID146145487
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(C(C)C)nc(NCc2cnn(C)c2)c1Br
InChIInChI=1S/C13H18BrN5/c1-8(2)12-17-9(3)11(14)13(18-12)15-5-10-6-16-19(4)7-10/h6-8H,5H2,1-4H3,(H,15,17,18)
InChIKeyVDIVGOQWRIPXAS-UHFFFAOYSA-N
XLogP3.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957808
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 79947519
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 155403307
2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol
CID 146145489
5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 146145450
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 122166469
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80908447
4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80816887
5-[(1-methylpyrazol-4-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62088124
6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 78955267
1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56913154
4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 114435149

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (CID 146145487) is 5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is Cc1nc(C(C)C)nc(NCc2cnn(C)c2)c1Br.
What is the InChIKey of 5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VDIVGOQWRIPXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-8(2)12-17-9(3)11(14)13(18-12)15-5-10-6-16-19(4)7-10/h6-8H,5H2,1-4H3,(H,15,17,18).
What are the key properties of 5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 324.23 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 146145487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).