5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine

C13H20BrN3 — CID 66299922

IUPAC5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(C(C)C)c1Br
InChIInChI=1S/C13H20BrN3/c1-4-7-15-13-10(14)11(8(2)3)16-12(17-13)9-5-6-9/h8-9H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyPFYQZCHQNQSCBZ-UHFFFAOYSA-N
MW298.23 g/mol
LogP4.06
Rot. Bonds5

About 5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine

5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66299922) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66299922
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(C(C)C)c1Br
InChIInChI=1S/C13H20BrN3/c1-4-7-15-13-10(14)11(8(2)3)16-12(17-13)9-5-6-9/h8-9H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyPFYQZCHQNQSCBZ-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66300703
5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66300704
5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 66300830
5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299335
5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300892
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
5-bromo-2-(methylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299727
2-(azepan-1-yl)-5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298547
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-cyclopentyl-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63484737
5-bromo-6-cyclopropyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
CID 66304188
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66299922) is 5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CC2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is PFYQZCHQNQSCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-4-7-15-13-10(14)11(8(2)3)16-12(17-13)9-5-6-9/h8-9H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine?
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 298.23 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66299922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).