6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C14H15FN4 — CID 171328184

IUPAC6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESFc1c(NCc2cccnc2)ncnc1C1CCC1
InChIInChI=1S/C14H15FN4/c15-12-13(11-4-1-5-11)18-9-19-14(12)17-8-10-3-2-6-16-7-10/h2-3,6-7,9,11H,1,4-5,8H2,(H,17,18,19)
InChIKeyCXAYNWXOUVPSQM-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.89
Rot. Bonds4

About 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 171328184) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID171328184
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESFc1c(NCc2cccnc2)ncnc1C1CCC1
InChIInChI=1S/C14H15FN4/c15-12-13(11-4-1-5-11)18-9-19-14(12)17-8-10-3-2-6-16-7-10/h2-3,6-7,9,11H,1,4-5,8H2,(H,17,18,19)
InChIKeyCXAYNWXOUVPSQM-UHFFFAOYSA-N
XLogP2.89
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 171328184) is 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is Fc1c(NCc2cccnc2)ncnc1C1CCC1.
What is the InChIKey of 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is CXAYNWXOUVPSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c15-12-13(11-4-1-5-11)18-9-19-14(12)17-8-10-3-2-6-16-7-10/h2-3,6-7,9,11H,1,4-5,8H2,(H,17,18,19).
What are the key properties of 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 258.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 171328184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).