2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine

C14H16BrN3 — CID 66300487

IUPAC2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2ccccc2)nc(N)c1Br
InChIInChI=1S/C14H16BrN3/c1-9(2)13-12(15)14(16)18-11(17-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKeyCAZZGGGTNYNIFZ-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.54
Rot. Bonds3

About 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine

2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300487) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300487
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2ccccc2)nc(N)c1Br
InChIInChI=1S/C14H16BrN3/c1-9(2)13-12(15)14(16)18-11(17-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKeyCAZZGGGTNYNIFZ-UHFFFAOYSA-N
XLogP3.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66299309
2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301314
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300683
2-benzyl-6-propan-2-ylpyrimidin-4-amine
CID 62192798
2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66300915
2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741385
2-benzyl-5-bromo-4,6-dimethoxypyrimidine
CID 165347996
5-bromo-N-ethyl-6-propan-2-yl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66298932
5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 66307241
5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66301281
2-benzyl-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300352

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine (CID 66300487) is 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cc2ccccc2)nc(N)c1Br.
What is the InChIKey of 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is CAZZGGGTNYNIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-9(2)13-12(15)14(16)18-11(17-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine?
2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).