2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine

C11H11ClFN3O — CID 79081350

IUPAC2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine
SMILESCc1occc1CN(C)c1nc(Cl)ncc1F
InChIInChI=1S/C11H11ClFN3O/c1-7-8(3-4-17-7)6-16(2)10-9(13)5-14-11(12)15-10/h3-5H,6H2,1-2H3
InChIKeyFMPSLODJJHFXAF-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.81
Rot. Bonds3

About 2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine (PubChem CID 79081350) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine
PubChem CID79081350
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine
SMILESCc1occc1CN(C)c1nc(Cl)ncc1F
InChIInChI=1S/C11H11ClFN3O/c1-7-8(3-4-17-7)6-16(2)10-9(13)5-14-11(12)15-10/h3-5H,6H2,1-2H3
InChIKeyFMPSLODJJHFXAF-UHFFFAOYSA-N
XLogP2.81
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine (CID 79081350) is 2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine is Cc1occc1CN(C)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is FMPSLODJJHFXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-7-8(3-4-17-7)6-16(2)10-9(13)5-14-11(12)15-10/h3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 255.68 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79081350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).