N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C11H10F3N3O — CID 2992019

IUPACN-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NCc2ccco2)n1
InChIInChI=1S/C11H10F3N3O/c1-7-5-9(11(12,13)14)17-10(16-7)15-6-8-3-2-4-18-8/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyVMHWLAHAQRSGHX-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.01
Rot. Bonds3

About N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine

N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 2992019) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID2992019
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NCc2ccco2)n1
InChIInChI=1S/C11H10F3N3O/c1-7-5-9(11(12,13)14)17-10(16-7)15-6-8-3-2-4-18-8/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyVMHWLAHAQRSGHX-UHFFFAOYSA-N
XLogP3.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 2992019) is N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(C(F)(F)F)nc(NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VMHWLAHAQRSGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-7-5-9(11(12,13)14)17-10(16-7)15-6-8-3-2-4-18-8/h2-5H,6H2,1H3,(H,15,16,17).
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 257.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 2992019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).