5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine

C17H18BrN3 — CID 66302540

IUPAC5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
SMILESCNc1nc(C2(c3ccccc3)CC2)nc(C2CC2)c1Br
InChIInChI=1S/C17H18BrN3/c1-19-15-13(18)14(11-7-8-11)20-16(21-15)17(9-10-17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20,21)
InChIKeyVTRRNVXFJAGERJ-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.24
Rot. Bonds4

About 5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine (PubChem CID 66302540) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
PubChem CID66302540
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
SMILESCNc1nc(C2(c3ccccc3)CC2)nc(C2CC2)c1Br
InChIInChI=1S/C17H18BrN3/c1-19-15-13(18)14(11-7-8-11)20-16(21-15)17(9-10-17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20,21)
InChIKeyVTRRNVXFJAGERJ-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine (CID 66302540) is 5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine is CNc1nc(C2(c3ccccc3)CC2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine?
The InChIKey is VTRRNVXFJAGERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-19-15-13(18)14(11-7-8-11)20-16(21-15)17(9-10-17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20,21).
What are the key properties of 5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine has a molecular weight of 344.26 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 66302540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).