5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine

C14H16BrN3O — CID 66302389

IUPAC5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C3CC3C)o2)nc(C)c1Br
InChIInChI=1S/C14H16BrN3O/c1-7-6-9(7)10-4-5-11(19-10)13-17-8(2)12(15)14(16-3)18-13/h4-5,7,9H,6H2,1-3H3,(H,16,17,18)
InChIKeyBNBHXLLXFKCZHE-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.97
Rot. Bonds3

About 5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine

5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine (PubChem CID 66302389) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine
PubChem CID66302389
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C3CC3C)o2)nc(C)c1Br
InChIInChI=1S/C14H16BrN3O/c1-7-6-9(7)10-4-5-11(19-10)13-17-8(2)12(15)14(16-3)18-13/h4-5,7,9H,6H2,1-3H3,(H,16,17,18)
InChIKeyBNBHXLLXFKCZHE-UHFFFAOYSA-N
XLogP3.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine (CID 66302389) is 5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine is CNc1nc(-c2ccc(C3CC3C)o2)nc(C)c1Br.
What is the InChIKey of 5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine?
The InChIKey is BNBHXLLXFKCZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-7-6-9(7)10-4-5-11(19-10)13-17-8(2)12(15)14(16-3)18-13/h4-5,7,9H,6H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine?
5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethyl-2-[5-(2-methylcyclopropyl)furan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 66302389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).