5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine

C10H9BrClN3O — CID 79075785

IUPAC5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1nc(Cl)ncc1Br
InChIInChI=1S/C10H9BrClN3O/c1-15(5-7-2-3-16-6-7)9-8(11)4-13-10(12)14-9/h2-4,6H,5H2,1H3
InChIKeyJAFMDAFYRVRYCQ-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.12
Rot. Bonds3

About 5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine

5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 79075785) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID79075785
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1nc(Cl)ncc1Br
InChIInChI=1S/C10H9BrClN3O/c1-15(5-7-2-3-16-6-7)9-8(11)4-13-10(12)14-9/h2-4,6H,5H2,1H3
InChIKeyJAFMDAFYRVRYCQ-UHFFFAOYSA-N
XLogP3.12
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine (CID 79075785) is 5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine is CN(Cc1ccoc1)c1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is JAFMDAFYRVRYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-15(5-7-2-3-16-6-7)9-8(11)4-13-10(12)14-9/h2-4,6H,5H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 302.56 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79075785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).