N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine

C13H17ClFN3 — CID 79075579

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine
SMILESCN(CC1CC2CCC1C2)c1nc(Cl)ncc1F
InChIInChI=1S/C13H17ClFN3/c1-18(12-11(15)6-16-13(14)17-12)7-10-5-8-2-3-9(10)4-8/h6,8-10H,2-5,7H2,1H3
InChIKeyZFVFQHXRQZEHOQ-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.14
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine (PubChem CID 79075579) has the molecular formula C13H17ClFN3 and a molecular weight of 269.75 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine
PubChem CID79075579
Molecular FormulaC13H17ClFN3
Molecular Weight269.75 g/mol
Exact Mass269.11
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine
SMILESCN(CC1CC2CCC1C2)c1nc(Cl)ncc1F
InChIInChI=1S/C13H17ClFN3/c1-18(12-11(15)6-16-13(14)17-12)7-10-5-8-2-3-9(10)4-8/h6,8-10H,2-5,7H2,1H3
InChIKeyZFVFQHXRQZEHOQ-UHFFFAOYSA-N
XLogP3.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine (CID 79075579) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine is CN(CC1CC2CCC1C2)c1nc(Cl)ncc1F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is ZFVFQHXRQZEHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3/c1-18(12-11(15)6-16-13(14)17-12)7-10-5-8-2-3-9(10)4-8/h6,8-10H,2-5,7H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 269.75 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-5-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79075579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).