5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine

C12H16BrN5 — CID 136575153

IUPAC5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Br)c(NCc2n[nH]c(C)c2C)n1
InChIInChI=1S/C12H16BrN5/c1-6-7(2)17-18-10(6)5-14-12-11(13)8(3)15-9(4)16-12/h5H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyBTFPCLPOJZTPTE-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.81
Rot. Bonds3

About 5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine

5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 136575153) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID136575153
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Br)c(NCc2n[nH]c(C)c2C)n1
InChIInChI=1S/C12H16BrN5/c1-6-7(2)17-18-10(6)5-14-12-11(13)8(3)15-9(4)16-12/h5H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyBTFPCLPOJZTPTE-UHFFFAOYSA-N
XLogP2.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine (CID 136575153) is 5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine is Cc1nc(C)c(Br)c(NCc2n[nH]c(C)c2C)n1.
What is the InChIKey of 5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is BTFPCLPOJZTPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-6-7(2)17-18-10(6)5-14-12-11(13)8(3)15-9(4)16-12/h5H2,1-4H3,(H,17,18)(H,14,15,16).
What are the key properties of 5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 310.20 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 136575153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).