5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine

C14H13Br2N3 — CID 66303346

IUPAC5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
SMILESNc1nc(Cc2ccc(Br)cc2)nc(C2CC2)c1Br
InChIInChI=1S/C14H13Br2N3/c15-10-5-1-8(2-6-10)7-11-18-13(9-3-4-9)12(16)14(17)19-11/h1-2,5-6,9H,3-4,7H2,(H2,17,18,19)
InChIKeyHONVLHNPFKHQML-UHFFFAOYSA-N
MW383.09 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine

5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine (PubChem CID 66303346) has the molecular formula C14H13Br2N3 and a molecular weight of 383.09 g/mol. Its IUPAC name is 5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
PubChem CID66303346
Molecular FormulaC14H13Br2N3
Molecular Weight383.09 g/mol
Exact Mass380.95
IUPAC Name5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
SMILESNc1nc(Cc2ccc(Br)cc2)nc(C2CC2)c1Br
InChIInChI=1S/C14H13Br2N3/c15-10-5-1-8(2-6-10)7-11-18-13(9-3-4-9)12(16)14(17)19-11/h1-2,5-6,9H,3-4,7H2,(H2,17,18,19)
InChIKeyHONVLHNPFKHQML-UHFFFAOYSA-N
XLogP4.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.09
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine (CID 66303346) is 5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine is Nc1nc(Cc2ccc(Br)cc2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine?
The InChIKey is HONVLHNPFKHQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3/c15-10-5-1-8(2-6-10)7-11-18-13(9-3-4-9)12(16)14(17)19-11/h1-2,5-6,9H,3-4,7H2,(H2,17,18,19).
What are the key properties of 5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine?
5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine has a molecular weight of 383.09 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 66303346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).