6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine

C15H17FN4O — CID 171328361

IUPAC6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc(C3CCC3)c2F)ccn1
InChIInChI=1S/C15H17FN4O/c1-21-12-7-10(5-6-17-12)8-18-15-13(16)14(19-9-20-15)11-3-2-4-11/h5-7,9,11H,2-4,8H2,1H3,(H,18,19,20)
InChIKeyAJJMSDCJDSRMRS-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.90
Rot. Bonds5

About 6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine

6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 171328361) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID171328361
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(CNc2ncnc(C3CCC3)c2F)ccn1
InChIInChI=1S/C15H17FN4O/c1-21-12-7-10(5-6-17-12)8-18-15-13(16)14(19-9-20-15)11-3-2-4-11/h5-7,9,11H,2-4,8H2,1H3,(H,18,19,20)
InChIKeyAJJMSDCJDSRMRS-UHFFFAOYSA-N
XLogP2.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine (CID 171328361) is 6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine is COc1cc(CNc2ncnc(C3CCC3)c2F)ccn1.
What is the InChIKey of 6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is AJJMSDCJDSRMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-21-12-7-10(5-6-17-12)8-18-15-13(16)14(19-9-20-15)11-3-2-4-11/h5-7,9,11H,2-4,8H2,1H3,(H,18,19,20).
What are the key properties of 6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine?
6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 288.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 171328361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).